data_1pfj_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 1pfj _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 ' 8' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 26' ' ' LEU . 3.4 p . . . . . 0 C--O 1.215 -0.752 0 CA-C-O 121.502 0.668 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD23 ' CD2' ' A' ' 26' ' ' LEU . 61.8 tp -99.13 -51.34 3.86 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.424 -0.797 . . . . 0.0 112.504 -177.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 52.6 tp -158.79 160.4 36.24 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 119.58 -1.95 . . . . 0.0 110.626 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.621 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -139.48 139.27 39.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 O-C-N 121.305 -0.872 . . . . 0.0 109.358 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.564 HG22 ' CG2' ' A' ' 15' ' ' VAL . 9.8 m -122.0 102.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.927 0.87 . . . . 0.0 109.498 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.67 -18.56 12.65 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.844 0.83 . . . . 0.0 110.998 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -116.08 117.52 30.33 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.522 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.689 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.81 149.8 13.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.134 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -123.81 131.23 53.55 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.616 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 10.7 pt20 -138.63 136.62 36.12 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLN . 39.3 mttp -36.47 -23.69 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.91 -0.494 . . . . 0.0 111.095 -174.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.631 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -79.54 -57.51 3.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.524 -1.36 . . . . 0.0 109.65 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.631 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -151.92 169.34 22.54 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.689 0.757 . . . . 0.0 111.015 -174.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -105.55 129.76 53.75 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 100.265 -3.976 . . . . 0.0 100.265 176.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.575 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.73 165.99 35.92 Favored Glycine 0 C--N 1.296 -1.688 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.37 138.24 32.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 123.304 1.526 . . . . 0.0 110.561 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.689 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.3 mt -108.03 130.31 55.08 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.231 -1.804 . . . . 0.0 110.141 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.621 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.0 m-85 -112.69 134.69 54.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD2' HD23 ' A' ' 9' ' ' LEU . 6.9 tp -114.74 130.74 56.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.575 -1.953 . . . . 0.0 107.439 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.531 ' SD ' ' CZ ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.72 153.57 31.13 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -38.23 -56.05 1.25 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.75 -0.594 . . . . 0.0 111.293 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tt0 -103.95 8.84 36.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.195 -1.566 . . . . 0.0 112.373 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -157.86 165.2 35.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 119.403 -2.06 . . . . 0.0 112.918 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -111.67 124.38 68.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 24' ' ' LEU . . . -109.97 156.95 19.81 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.117 -0.989 . . . . 0.0 111.248 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.725 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t90 -135.79 145.61 46.71 Favored 'General case' 0 C--O 1.199 -1.592 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.343 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ALA . . . -150.81 162.09 28.11 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.701 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.3 Cg_endo . . . . . 0 C--N 1.312 -1.377 0 O-C-N 123.918 1.483 . . . . 0.0 108.419 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.725 ' N ' ' O ' ' A' ' 33' ' ' TRP . 1.5 t . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 121.17 0.509 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.637 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -147.51 177.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 O-C-N 121.189 -0.944 . . . . 0.0 111.258 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -166.68 119.9 1.03 Allowed 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.637 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.3 118.64 37.23 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 120.885 -1.135 . . . . 0.0 109.043 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.543 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -67.52 118.68 11.16 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.766 0.793 . . . . 0.0 110.259 -179.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.696 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 8.0 m-30 -40.61 -46.44 2.55 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.86 -0.525 . . . . 0.0 110.207 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -32.31 71.37 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.177 -1.577 . . . . 0.0 108.585 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 1.3 m-20 -68.94 -4.31 16.14 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.448 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.539 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 36.4 pt -138.87 142.35 34.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.513 -0.742 . . . . 0.0 109.23 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 52' ' ' CYS . 21.6 tptp -144.67 103.56 3.94 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 119.413 -2.054 . . . . 0.0 112.961 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.637 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 10.5 t 172.61 132.01 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' NE2' HD11 ' A' ' 100' ' ' LEU . 37.4 mt-30 -144.0 125.17 14.54 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 117.359 -1.736 . . . . 0.0 111.439 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.669 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.685 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.196 -1.741 0 CA-C-O 118.867 -0.587 . . . . 0.0 112.05 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.685 ' CG1' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER 89.19 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 123.196 1.474 . . . . 0.0 114.405 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.459 ' HB3' ' HD2' ' A' ' 78' ' ' HIS . 2.4 pt20 -129.45 129.83 45.13 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.021 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.1 165.47 12.87 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.883 -1.136 . . . . 0.0 110.069 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.92 132.03 20.43 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.386 -0.822 . . . . 0.0 110.735 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -136.96 151.84 49.47 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.637 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.6 t -125.76 158.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.296 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.779 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.68 143.35 26.82 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.655 -177.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.0 p80 -45.47 -31.67 1.85 Allowed 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -73.38 -153.71 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.44 51.8 0.68 Allowed Glycine 0 C--N 1.298 -1.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.586 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -129.61 132.77 46.85 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.455 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.524 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.41 162.93 13.48 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -133.61 107.1 7.78 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 3.4 m-20 -110.41 138.05 47.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.901 -1.124 . . . . 0.0 108.191 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.694 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -142.64 150.86 40.8 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.09 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.652 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 61.8 t-80 -143.08 152.74 42.19 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.451 1.119 . . . . 0.0 111.015 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.652 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 22.6 m-85 . . . . . 0 C--N 1.286 -2.174 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.216 -0.703 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.26 -140.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 O-C-N 121.2 -0.938 . . . . 0.0 112.012 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.524 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 mttm -35.01 -53.5 0.58 Allowed 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.732 -0.605 . . . . 0.0 111.924 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -38.58 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 122.989 1.376 . . . . 0.0 109.693 -179.251 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.64 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 6.2 mmt180 -59.3 -41.17 88.35 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 3.8 t0 -40.95 -59.02 1.55 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -61.56 -36.09 79.63 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.405 -0.809 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.507 HG21 ' CG1' ' A' ' 12' ' ' VAL . 38.9 t -49.52 -67.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.669 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -49.45 -48.89 47.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.536 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 16.9 t0 -44.85 -24.37 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.745 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 98' ' ' GLN . 4.1 mt -82.01 -50.36 9.2 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.669 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 3.9 mt -38.04 -63.8 0.45 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.744 0.783 . . . . 0.0 110.289 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -66.03 -4.21 6.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.466 -0.771 . . . . 0.0 110.096 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.8 -35.9 16.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.438 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.42 -25.71 22.52 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.056 -1.028 . . . . 0.0 108.366 178.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.651 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 tp -44.62 -29.17 0.49 Allowed Pre-proline 0 C--N 1.298 -1.67 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.0 Cg_exo -76.78 -4.69 15.23 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 O-C-N 124.35 1.711 . . . . 0.0 112.499 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 99' ' ' LEU . 7.9 mttt -86.88 -45.07 11.19 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 120.688 -1.257 . . . . 0.0 111.238 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 2.4 p90 . . . . . 0 C--N 1.297 -1.712 0 O-C-N 121.501 -0.749 . . . . 0.0 109.72 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 HG11 ' SD ' ' A' ' 27' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.215 -0.72 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.596 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 23.4 tp -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.153 -1.019 . . . . 0.0 113.578 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.529 ' N ' HD23 ' A' ' 26' ' ' LEU . 24.5 tp -176.1 162.02 2.46 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.099 -2.25 . . . . 0.0 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.585 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.23 141.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 121.609 -0.682 . . . . 0.0 110.383 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -103.3 136.72 34.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.675 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -88.12 -34.18 17.98 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 116.434 2.013 . . . . 0.0 116.434 -173.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' HD3' ' HD2' ' A' ' 13' ' ' LYS . 1.6 tptp -132.39 100.12 4.89 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 115.743 -2.383 . . . . 0.0 111.733 172.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.599 HG12 ' CD1' ' A' ' 77' ' ' PHE . 21.8 t -109.54 161.54 7.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-O 122.873 1.32 . . . . 0.0 112.045 -174.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -124.03 122.0 36.73 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.482 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.5 pt20 -127.61 142.61 51.31 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.44 -21.03 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 122.146 -0.346 . . . . 0.0 111.843 -173.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -93.25 -53.16 4.22 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.221 -1.549 . . . . 0.0 110.686 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.594 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -151.56 169.2 22.68 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.549 0.69 . . . . 0.0 110.587 -174.061 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.94 135.51 47.25 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 101.465 -3.532 . . . . 0.0 101.465 177.1 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.7 166.1 35.94 Favored Glycine 0 C--N 1.295 -1.727 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -176.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.58 138.71 33.25 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.283 -1.716 . . . . 0.0 107.208 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 ' CD2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.38 134.42 51.21 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.127 -174.215 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 11.2 m-85 -115.85 136.27 53.2 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.38 139.33 51.01 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.581 ' CE ' ' NH2' ' A' ' 30' ' ' ARG . 6.2 ttt -136.95 150.62 48.28 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.59 -57.75 0.93 Allowed 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.37 0.605 . . . . 0.0 110.235 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.6 tp10 -87.23 -12.43 46.77 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.581 ' NH2' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -163.31 166.39 23.11 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.026 -2.296 . . . . 0.0 113.046 -179.307 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.588 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 mm -109.87 131.31 61.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.07 148.23 43.85 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.79 -1.194 . . . . 0.0 110.458 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.742 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 24.7 t90 -125.26 136.54 53.63 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.52 165.24 17.97 Favored Pre-proline 0 C--N 1.298 -1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 111.72 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 C--N 1.316 -1.168 0 O-C-N 124.04 1.547 . . . . 0.0 108.772 177.68 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.643 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -137.82 161.4 33.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-O 121.855 0.836 . . . . 0.0 111.285 -178.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 24.2 p -168.69 102.52 0.4 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.37 120.04 41.31 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.164 -0.96 . . . . 0.0 108.71 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.55 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.4 mtt -69.12 115.13 8.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.685 0.755 . . . . 0.0 110.302 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.5 m-30 -40.62 -43.63 1.95 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.673 -0.642 . . . . 0.0 110.733 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.4 -37.14 77.38 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.895 -1.753 . . . . 0.0 108.159 177.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.55 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 2.2 m-20 -65.49 -3.32 4.24 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.478 -1.237 . . . . 0.0 109.944 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.609 ' CD1' ' HB2' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -139.09 138.25 41.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.5 -0.75 . . . . 0.0 109.49 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -147.07 103.89 3.64 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 116.638 -2.025 . . . . 0.0 112.907 178.265 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.625 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 6.5 t 173.17 132.0 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.539 ' HG2' ' CD2' ' A' ' 100' ' ' LEU . 27.9 mp0 -143.84 123.5 13.31 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.151 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.556 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.608 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.842 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.734 HG13 ' O ' ' A' ' 63' ' ' ILE 0.334 0.0 OUTLIER 79.46 83.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.702 1.715 . . . . 0.0 112.255 179.911 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.464 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 3.2 pt20 -123.76 132.52 53.82 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 113.948 -1.478 . . . . 0.0 107.364 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.59 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -130.01 163.8 25.68 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.337 -1.477 . . . . 0.0 111.389 -178.753 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -148.03 125.51 11.68 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.675 0.75 . . . . 0.0 110.009 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.555 ' CD2' ' HB ' ' A' ' 50' ' ' ILE . 3.9 tt -130.61 154.84 47.45 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.625 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.4 t -127.66 157.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 117.611 -1.635 . . . . 0.0 111.623 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -88.41 147.31 24.77 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.579 -176.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.514 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 61.0 m-70 -46.86 -30.96 2.76 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.77 -154.42 0.08 Allowed 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.574 -1.194 . . . . 0.0 107.952 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.41 52.14 0.66 Allowed Glycine 0 C--N 1.298 -1.555 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.581 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 5.2 m-20 -128.23 130.71 48.37 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 3.0 m -108.02 164.53 12.2 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 29.3 m -130.69 109.98 11.03 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.459 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 2.0 m-20 -109.83 138.29 46.4 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.742 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -142.99 144.47 32.33 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.94 -179.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 35.4 t-80 -144.98 156.87 44.2 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.67 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CD1' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.612 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.214 -0.796 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 HG21 ' N ' ' A' ' 87' ' ' LYS . 10.5 m -153.09 -141.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.388 -1.445 . . . . 0.0 112.518 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.525 ' N ' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -34.57 -45.73 0.25 Allowed 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.954 -0.466 . . . . 0.0 110.348 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.468 ' OE1' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -45.28 -72.63 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.821 1.296 . . . . 0.0 108.957 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.603 ' HG3' ' HB2' ' A' ' 79' ' ' PHE . 6.7 mmt180 -63.63 -54.94 28.0 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -52.07 -12.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.248 -0.908 . . . . 0.0 110.514 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.581 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.65 -34.81 11.25 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.793 -1.192 . . . . 0.0 109.709 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.519 ' CG1' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.47 -40.12 77.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.035 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.665 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.6 ttpt -63.41 -60.83 2.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 44.8 t0 -43.01 -23.59 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.596 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 1.2 mt -89.38 -43.61 10.78 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.031 -1.043 . . . . 0.0 108.225 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 5.9 mt -41.05 -59.3 1.51 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.07 0.938 . . . . 0.0 109.889 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.665 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.5 -0.68 5.31 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 110.076 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.56 -39.11 13.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.581 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.13 -24.03 30.43 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.159 -0.963 . . . . 0.0 108.924 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.661 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 13.7 mt -44.75 -52.25 19.08 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 34.8 Cg_exo -46.8 -39.23 23.93 Favored 'Trans proline' 0 C--N 1.297 -2.144 0 O-C-N 124.33 1.7 . . . . 0.0 110.867 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -49.4 -41.78 40.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.598 -0.689 . . . . 0.0 112.554 -178.193 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.448 0 O-C-N 120.755 -1.216 . . . . 0.0 110.273 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.584 ' CG1' ' CE ' ' A' ' 27' ' ' MET . 2.0 m . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 24.2 tp -98.67 -39.09 8.85 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.937 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -168.19 152.41 6.17 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.445 -2.034 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.636 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 137.06 58.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.3 -0.875 . . . . 0.0 109.099 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -122.68 96.87 4.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 122.303 1.049 . . . . 0.0 109.082 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.79 -18.94 9.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.016 0.912 . . . . 0.0 110.262 179.471 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' O ' HG21 ' A' ' 15' ' ' VAL . 4.4 tptt -113.87 116.73 29.76 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.091 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.678 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.33 146.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 118.131 -1.427 . . . . 0.0 109.215 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -122.08 139.97 53.09 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 pt20 -145.14 137.29 25.8 Favored 'General case' 0 C--N 1.279 -2.474 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -36.72 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.848 -0.532 . . . . 0.0 110.923 -174.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 17' ' ' GLN . 10.2 ptmt -81.5 -58.42 3.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.65 -1.281 . . . . 0.0 110.518 178.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.595 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.1 169.1 22.66 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 0.0 110.815 -174.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -105.84 129.85 53.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 101.451 -3.537 . . . . 0.0 101.451 176.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.05 166.29 36.25 Favored Glycine 0 C--N 1.298 -1.58 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 13' ' ' LYS . . . -84.55 133.17 34.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 123.292 1.52 . . . . 0.0 110.451 -177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.678 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -107.86 132.61 53.27 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 113.113 -1.858 . . . . 0.0 109.547 -175.351 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.636 ' CE1' HG13 ' A' ' 11' ' ' ILE . 13.6 m-85 -111.25 133.34 53.67 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD11 HG12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -112.84 133.62 54.74 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.755 -1.841 . . . . 0.0 108.379 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.584 ' CE ' ' CG1' ' A' ' 8' ' ' VAL . 5.0 ttm -120.41 146.44 46.2 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.97 -58.21 2.91 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.182 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 4.0 tt0 -87.19 -2.11 58.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.456 -0.777 . . . . 0.0 112.948 -175.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.578 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -161.36 165.54 28.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.146 -2.221 . . . . 0.0 112.557 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.591 HG13 ' CE1' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -109.07 141.13 25.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -130.43 144.22 51.26 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.953 -1.092 . . . . 0.0 110.995 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 13.0 t90 -121.56 142.39 50.13 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.236 -0.985 . . . . 0.0 110.746 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.87 116.67 3.29 Favored Pre-proline 0 C--N 1.298 -1.648 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.419 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.625 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.1 Cg_endo . . . . . 0 C--N 1.312 -1.37 0 O-C-N 123.921 1.485 . . . . 0.0 109.043 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.617 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 120.885 0.374 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.81 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.8 156.16 6.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 C-N-CA 118.789 -1.164 . . . . 0.0 111.791 -179.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 62.5 m -164.18 101.48 0.86 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.508 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.19 115.98 30.7 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 121.17 -0.957 . . . . 0.0 108.88 178.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.578 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -69.01 118.11 11.51 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.874 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 6.3 m-30 -41.3 -44.67 2.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.817 -0.552 . . . . 0.0 109.712 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.86 76.42 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 119.712 -1.868 . . . . 0.0 108.127 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 22.7 m-20 -68.29 -3.81 12.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.996 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.612 ' O ' ' O ' ' A' ' 47' ' ' TYR . 2.7 pp -144.66 142.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.461 -0.774 . . . . 0.0 109.217 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HD2' ' C ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -143.27 103.78 4.18 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 119.112 -2.243 . . . . 0.0 112.299 178.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.08 134.41 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.55 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 3.2 mm-40 -143.58 122.7 12.9 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 117.823 -1.551 . . . . 0.0 110.963 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.663 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.301 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.642 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.642 ' CG1' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER 83.65 71.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-O 123.649 1.69 . . . . 0.0 113.407 177.584 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.45 133.72 55.07 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.383 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.569 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.49 165.62 14.71 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.939 -1.101 . . . . 0.0 110.124 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -140.87 136.9 32.8 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.904 0.859 . . . . 0.0 110.694 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -140.62 148.7 41.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.634 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.2 t -126.7 157.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 123.336 1.541 . . . . 0.0 110.94 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.766 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -92.11 144.1 25.77 Favored 'General case' 0 C--N 1.277 -2.554 0 CA-C-N 113.549 -1.66 . . . . 0.0 109.046 -177.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.7 p80 -46.66 -30.48 2.36 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.42 -153.38 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.95 53.75 0.57 Allowed Glycine 0 C--N 1.292 -1.865 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.601 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 25.8 m-20 -129.42 131.64 46.81 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.086 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.495 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.04 165.12 11.59 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 45' ' ' HIS . 2.5 m -140.82 105.86 4.98 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 3.1 m-20 -109.17 144.04 37.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -147.58 146.43 29.39 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.967 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.654 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 60.1 t-80 -136.6 157.91 45.68 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.448 1.118 . . . . 0.0 110.911 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.654 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 54.4 m-85 . . . . . 0 C--N 1.287 -2.111 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.637 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.439 -0.993 0 CA-C-O 122.768 1.27 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 2.3 t -150.55 -132.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.754 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -59.93 -45.51 92.36 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 111.057 -179.186 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -39.3 -73.11 0.05 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 122.835 1.302 . . . . 0.0 110.065 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.633 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 7.7 mmt180 -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 89' ' ' ARG . 25.8 t0 -38.51 -55.15 1.44 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -62.8 -35.92 81.44 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.442 -0.786 . . . . 0.0 110.319 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ARG . 15.0 t -52.43 -61.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.679 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 12.6 tttp -55.18 -53.2 59.0 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.518 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 4.1 t70 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.9 OUTLIER -92.13 -44.72 8.65 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 120.7 -1.25 . . . . 0.0 108.315 178.295 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.612 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 4.4 mt -36.42 -62.27 0.47 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 122.124 0.964 . . . . 0.0 110.075 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.679 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.88 0.3 0.89 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.802 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.61 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -95.08 -39.43 10.14 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.612 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -79.85 -31.95 40.48 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.393 -0.817 . . . . 0.0 109.446 179.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 1.1 mt -41.47 -39.46 2.31 Favored Pre-proline 0 C--N 1.304 -1.377 0 O-C-N 121.63 -0.669 . . . . 0.0 109.421 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 50.1 Cg_exo -66.93 0.13 4.07 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 O-C-N 124.663 1.875 . . . . 0.0 112.365 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.18 -45.29 8.73 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.936 -1.103 . . . . 0.0 111.618 -178.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.698 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.57 0 O-C-N 121.329 -0.857 . . . . 0.0 110.251 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 121.922 0.868 . . . . 0.0 108.7 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 95' ' ' LEU . 17.1 tp -100.57 -30.85 11.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 26' ' ' LEU . 39.5 tp -174.52 152.11 1.64 Allowed 'General case' 0 C--O 1.214 -0.78 0 O-C-N 119.11 -2.244 . . . . 0.0 111.571 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.626 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 146.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.805 0.812 . . . . 0.0 111.174 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.635 ' CG1' ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -124.38 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.45 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.84 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -60.01 -81.52 0.02 OUTLIER 'General case' 0 C--O 1.183 -2.42 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.9 104.82 14.38 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 118.524 -2.61 . . . . 0.0 115.466 -172.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.635 ' CG2' ' CG1' ' A' ' 12' ' ' VAL . 45.6 t -106.57 164.8 4.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.129 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.544 ' NH2' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -114.86 142.86 45.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.9 pt20 -143.66 147.77 34.8 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -36.5 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -101.85 -52.54 3.16 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.095 -1.628 . . . . 0.0 111.575 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.38 169.24 22.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.536 0.684 . . . . 0.0 111.147 -172.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.592 ' CG ' ' O ' ' A' ' 15' ' ' VAL . 2.4 t70 -105.24 134.23 48.69 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 100.481 -3.896 . . . . 0.0 100.481 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' HA3' ' NE1' ' A' ' 33' ' ' TRP . . . -161.51 166.53 36.0 Favored Glycine 0 C--N 1.291 -1.964 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.69 141.6 32.33 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.065 -1.844 . . . . 0.0 108.321 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -108.9 125.23 51.79 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.668 -175.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.626 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.9 m-85 -111.37 135.86 51.33 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.92 139.35 51.27 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.522 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 1.2 ttp -138.91 146.68 41.38 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.62 -57.66 0.94 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.772 -0.58 . . . . 0.0 110.605 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.0 tt0 -86.63 -11.98 49.83 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.061 -1.056 . . . . 0.0 113.381 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -163.44 165.04 24.26 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 119.235 -2.166 . . . . 0.0 112.408 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.586 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -110.86 128.93 66.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -112.96 146.75 38.47 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.71 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 28.5 t90 -131.51 138.24 48.86 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.85 148.72 22.17 Favored Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.294 -0.878 . . . . 0.0 110.806 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.554 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.387 0 O-C-N 123.651 1.343 . . . . 0.0 109.401 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.633 ' CG2' ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.443 -0.782 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -149.14 157.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.751 0.786 . . . . 0.0 110.032 178.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.564 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -155.88 113.75 3.34 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.639 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.76 123.88 50.3 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.9 -1.125 . . . . 0.0 110.549 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -68.01 112.87 5.25 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.117 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-30 -40.16 -39.97 1.01 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.259 -0.9 . . . . 0.0 110.856 -177.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -69.33 -36.5 77.0 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 120.079 -1.638 . . . . 0.0 108.19 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 46' ' ' MET . 8.5 m-20 -63.77 -3.22 2.21 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.719 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.583 ' CD1' HD22 ' A' ' 67' ' ' LEU . 1.2 pt -139.11 135.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.512 -0.742 . . . . 0.0 109.172 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -138.63 103.49 4.87 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 119.732 -1.855 . . . . 0.0 112.032 178.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.632 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.83 130.23 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 176.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.56 ' NE2' ' CD1' ' A' ' 67' ' ' LEU . 11.4 mm-40 -143.99 120.94 11.34 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 117.048 -1.861 . . . . 0.0 112.056 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 178.237 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.68 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.994 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.68 ' CG2' ' O ' ' A' ' 62' ' ' LYS 0.306 0.0 OUTLIER 77.03 84.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 123.19 1.472 . . . . 0.0 111.012 179.772 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -127.82 132.54 49.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.503 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -125.94 162.04 26.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 109.717 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 2.5 tt0 -149.86 128.49 12.36 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.348 -0.845 . . . . 0.0 110.671 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.583 HD22 ' CD1' ' A' ' 50' ' ' ILE . 2.2 tt -136.09 153.1 51.42 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.632 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.4 t -126.82 158.06 37.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-O 123.354 1.55 . . . . 0.0 111.776 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.765 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -87.74 144.73 26.47 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.113 -177.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.7 p80 -46.46 -31.27 2.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -77.09 -154.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.85 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 51.19 0.72 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.518 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.3 t0 -128.6 129.38 45.84 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.49 163.92 12.8 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 45' ' ' HIS . 3.9 m -135.1 106.0 6.58 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 5.2 m-20 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.71 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -141.66 143.17 33.47 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 117.895 -1.522 . . . . 0.0 110.626 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.715 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 66.7 t-80 -145.55 145.11 30.89 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.436 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.715 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 13.1 m-85 . . . . . 0 C--N 1.277 -2.584 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 122.6 1.19 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 1.0 OUTLIER -150.63 -148.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.284 -2.26 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.055 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -49.83 -28.09 5.94 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.401 -0.812 . . . . 0.0 110.408 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' HB2' ' NE ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -56.51 -72.05 0.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.649 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.3 mmt180 -56.59 -37.91 71.27 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.535 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -58.57 -17.84 24.92 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.053 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' A' ' 94' ' ' ASP . . . -84.46 -39.75 18.55 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 176.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.9 t -59.12 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.6 ttpt -44.15 -37.19 2.98 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.44 -0.787 . . . . 0.0 108.939 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.581 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.5 m-20 -53.96 -30.64 47.66 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? -92.81 -41.87 9.86 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.165 -0.959 . . . . 0.0 109.585 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 99' ' ' LEU . 11.7 mt -44.45 -67.98 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.235 -0.916 . . . . 0.0 112.056 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.12 -1.31 0.3 Allowed 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.482 -1.387 . . . . 0.0 110.538 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.487 ' H ' ' C ' ' A' ' 96' ' ' LEU . 4.2 tt0 -93.45 -36.43 12.47 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.044 -1.035 . . . . 0.0 109.663 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -85.53 -25.08 27.0 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 120.799 -1.188 . . . . 0.0 110.011 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.8 OUTLIER -50.09 -33.66 8.34 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 120.832 -1.168 . . . . 0.0 108.558 -178.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -73.23 -5.43 17.15 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.251 1.658 . . . . 0.0 111.203 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 3.4 tttp -80.66 -42.67 21.68 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 111.683 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 0.0 110.298 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.75 0 CA-C-O 121.625 0.726 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.539 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 30.0 tp -98.82 -27.17 14.05 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.629 -177.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 37.2 tp -173.5 160.61 3.89 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 119.252 -2.155 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.18 133.51 34.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.518 HG11 ' NH1' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -116.64 96.5 4.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.78 -1.2 . . . . 0.0 109.554 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 2.0 mptt -50.18 -19.63 0.82 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' HG21 ' A' ' 15' ' ' VAL . 1.4 tptp -113.14 110.46 20.46 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.379 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.716 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 50.8 t -150.56 144.7 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.34 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.562 175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -125.67 142.83 51.31 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.0 pt20 -140.41 136.22 32.85 Favored 'General case' 0 C--N 1.278 -2.513 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -36.17 -22.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.961 -0.462 . . . . 0.0 111.618 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptmm? -81.67 -53.17 6.45 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.336 -1.477 . . . . 0.0 109.882 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.649 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 8.2 tp60 -151.45 168.48 24.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.967 -173.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -105.63 133.76 49.84 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 101.365 -3.569 . . . . 0.0 101.365 176.295 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.511 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.43 166.04 36.38 Favored Glycine 0 C--N 1.301 -1.402 0 C-N-CA 120.172 -1.013 . . . . 0.0 110.753 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -85.4 133.6 34.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.519 1.152 . . . . 0.0 109.178 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.716 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -107.99 141.31 39.84 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.179 -175.078 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 11.7 m-85 -116.47 135.91 53.43 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -112.37 137.21 50.85 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.472 -1.393 . . . . 0.0 107.374 178.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.531 ' SD ' ' CG1' ' A' ' 8' ' ' VAL . 2.7 ttp -134.18 138.91 45.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.18 -56.0 0.95 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.733 -0.604 . . . . 0.0 110.192 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 1.1 tp10 -87.34 -14.27 41.22 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.383 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -159.08 163.72 36.01 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.299 -2.126 . . . . 0.0 112.422 -178.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.546 ' CG1' ' OH ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -109.85 124.28 66.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.936 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -109.28 153.71 23.49 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.477 -0.764 . . . . 0.0 109.688 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.703 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 22.7 t90 -132.28 141.13 48.87 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.367 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.33 117.19 3.21 Favored Pre-proline 0 C--N 1.295 -1.795 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.023 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 O-C-N 123.979 1.515 . . . . 0.0 109.904 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.641 HG21 ' N ' ' A' ' 43' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -150.77 177.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.103 -1.039 . . . . 0.0 111.614 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -170.22 112.57 0.44 Allowed 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.502 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.645 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.13 129.16 55.48 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.723 -1.236 . . . . 0.0 110.265 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -74.09 107.83 6.52 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.52 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.653 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 4.1 m-30 -31.06 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -67.29 -46.05 74.74 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 119.965 -1.709 . . . . 0.0 108.074 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 16.5 m-20 -65.9 -5.62 9.8 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.317 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.6 ' CG2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -123.1 114.55 42.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -141.8 103.55 4.37 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 115.982 -2.287 . . . . 0.0 113.428 178.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 1.6 t 172.73 138.66 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 52' ' ' CYS . 6.4 mp0 -143.27 120.98 11.86 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.663 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.055 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.626 ' CD ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.358 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.723 HG12 ' O ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -157.39 83.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 120.635 -1.291 . . . . 0.0 113.272 -176.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 78' ' ' HIS . 3.5 pt20 -108.56 131.37 54.92 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 118.862 -2.399 . . . . 0.0 107.37 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.578 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -109.03 171.16 7.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.717 -1.239 . . . . 0.0 112.861 -176.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.542 ' CG ' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -135.61 127.15 28.79 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.951 0.881 . . . . 0.0 110.63 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.6 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -129.56 133.66 47.32 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.237 -2.135 . . . . 0.0 105.237 179.287 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.666 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.6 t -111.89 157.19 12.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 117.7 -1.6 . . . . 0.0 111.18 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.721 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.59 147.2 27.88 Favored 'General case' 0 C--N 1.28 -2.435 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.765 -178.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.0 p80 -49.15 -33.21 11.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.02 -153.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.97 53.32 0.59 Allowed Glycine 0 C--N 1.301 -1.381 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.578 ' O ' HD22 ' A' ' 69' ' ' LEU . 18.2 m-20 -127.68 139.9 52.42 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.8 160.1 16.24 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 119.66 -0.816 . . . . 0.0 108.968 -178.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 67' ' ' LEU . 86.1 m -133.74 104.46 6.34 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.542 ' ND2' ' CG ' ' A' ' 66' ' ' GLN . 4.3 m120 -109.77 146.35 35.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.842 -1.161 . . . . 0.0 108.974 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.703 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -150.8 141.08 22.31 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.962 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.672 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 26.5 t-80 -130.45 165.22 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.308 1.052 . . . . 0.0 113.163 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.635 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.7 m-85 . . . . . 0 C--O 1.207 -1.144 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 122.531 1.158 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 1.6 t -150.71 -145.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.415 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -46.2 -40.97 12.11 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.924 -1.11 . . . . 0.0 110.324 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.91 -1.119 . . . . 0.0 110.025 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.8 mmt180 -61.95 -56.25 21.07 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 6.3 t70 -35.84 -48.14 0.54 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -62.03 -54.04 47.05 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ARG . 39.0 t -38.31 -58.74 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.649 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 27.1 ttpp -59.12 -52.24 66.57 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -47.51 -19.67 0.19 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 5.5 mt -89.04 -45.29 9.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 10.8 mt -40.56 -61.12 0.98 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.884 0.849 . . . . 0.0 109.919 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.649 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.4 -0.13 7.67 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.576 -0.703 . . . . 0.0 110.018 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.16 -27.79 16.69 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.575 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.35 -23.74 19.14 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.802 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.659 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 2.7 tm? -45.61 -33.93 2.25 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 100' ' ' LEU . 41.2 Cg_exo -68.78 -1.37 7.54 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 124.069 1.563 . . . . 0.0 111.983 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.7 tttm -87.98 -44.22 11.17 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 112.617 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.659 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -176.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG13 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 121.657 0.742 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 20.0 tp -98.74 -32.68 11.26 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.715 -0.794 . . . . 0.0 112.624 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 42.0 tp -175.93 147.21 0.75 Allowed 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.245 -2.159 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.612 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.29 141.42 33.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.496 -0.752 . . . . 0.0 109.71 179.253 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -122.15 117.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 177.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 1.016 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 16.8 ttmt -58.17 -83.27 0.01 OUTLIER 'General case' 0 C--O 1.186 -2.242 0 C-N-CA 116.729 -1.989 . . . . 0.0 108.482 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -49.77 133.85 21.2 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 119.735 -1.853 . . . . 0.0 111.943 -178.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.743 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 5.6 t -151.14 150.86 12.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.968 172.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.592 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 8.3 tpp180 -122.2 132.89 54.67 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.0 pt20 -137.03 130.24 31.09 Favored 'General case' 0 C--N 1.275 -2.667 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mttp -36.37 -22.42 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.656 -0.652 . . . . 0.0 111.868 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 13.6 ptmm? -80.66 -53.44 6.53 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.358 -1.464 . . . . 0.0 110.348 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.58 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 40.0 tt0 -152.0 168.29 25.7 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.575 -0.703 . . . . 0.0 110.116 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -106.43 132.01 52.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 101.544 -3.502 . . . . 0.0 101.544 175.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.547 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.81 166.11 36.01 Favored Glycine 0 C--N 1.291 -1.946 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 1.016 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.48 134.05 34.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.873 1.321 . . . . 0.0 111.539 -176.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.743 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.03 135.35 50.34 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.848 -176.059 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.612 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.0 m-85 -115.89 141.79 47.63 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -120.29 138.19 53.83 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 178.23 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 28' ' ' ALA . 3.5 ttp -144.76 144.26 31.09 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.5 -47.19 0.61 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.874 0.845 . . . . 0.0 109.196 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 46' ' ' MET . 2.0 tp10 -85.14 -31.45 23.28 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.375 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.61 ' HB3' ' HA ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -162.13 166.49 25.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 119.733 -1.854 . . . . 0.0 113.386 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.576 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -108.99 131.77 58.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -114.92 156.98 24.0 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.081 -1.012 . . . . 0.0 111.369 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.716 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 15.5 t90 -129.56 137.46 50.76 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.685 -0.635 . . . . 0.0 109.376 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.478 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.88 148.52 21.8 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 121.397 -0.815 . . . . 0.0 110.835 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.376 0 O-C-N 123.754 1.397 . . . . 0.0 109.638 178.887 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.631 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.625 ' N ' HG21 ' A' ' 42' ' ' THR . 1.1 pt -151.1 175.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.778 0.799 . . . . 0.0 111.283 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 p -159.61 128.21 5.07 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.652 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -109.13 104.75 13.99 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.68 -1.263 . . . . 0.0 108.976 -179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.61 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -65.52 103.53 0.86 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.076 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 3.8 m-30 -32.29 -39.21 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 122.085 -0.384 . . . . 0.0 111.899 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -68.39 -46.15 70.79 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 120.014 -1.679 . . . . 0.0 108.479 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.7 m-20 -65.73 -5.68 9.38 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.606 ' CG2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -122.06 116.63 49.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 52' ' ' CYS . 5.9 tptp -136.66 102.93 5.06 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 115.708 -2.397 . . . . 0.0 113.259 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.654 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 5.4 t 172.18 131.33 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HG3' ' CD1' ' A' ' 100' ' ' LEU . 19.0 mm-40 -142.95 127.69 18.16 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 116.599 -2.04 . . . . 0.0 112.689 -176.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.297 -1.675 0 CA-C-N 113.236 -1.802 . . . . 0.0 106.374 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.801 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.197 -1.68 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.801 ' CG2' ' O ' ' A' ' 62' ' ' LYS 0.335 0.8 OUTLIER 79.42 80.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 121.708 2.049 . . . . 0.0 113.814 -179.176 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 2.9 pt20 -124.56 130.75 53.02 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.086 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.573 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.65 163.93 22.39 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.264 -1.522 . . . . 0.0 111.474 -179.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -144.98 129.28 17.77 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.305 -0.872 . . . . 0.0 110.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -134.79 149.45 50.4 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.654 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.8 t -122.09 158.04 26.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.593 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.56 146.94 28.05 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.447 -178.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.8 p80 -48.69 -35.07 13.14 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.26 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.229 178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.4 51.97 0.67 Allowed Glycine 0 C--N 1.303 -1.251 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.559 ' O ' HD21 ' A' ' 69' ' ' LEU . 31.4 m-20 -128.18 140.5 51.88 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.287 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.459 HG23 HG21 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.96 155.88 20.36 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.075 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.527 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -126.78 105.26 8.54 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 178.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -111.37 138.63 47.62 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 108.592 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.716 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -146.11 144.32 29.92 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 118.398 -1.321 . . . . 0.0 110.595 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.723 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 52.7 t-80 -132.13 157.86 43.13 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.422 1.106 . . . . 0.0 109.971 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.723 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 67.2 m-85 . . . . . 0 C--N 1.282 -2.331 0 CA-C-O 122.115 0.96 . . . . 0.0 111.539 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.522 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 120.944 0.402 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.526 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -153.95 -141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 120.993 -1.067 . . . . 0.0 113.168 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.579 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 3.7 mptt -43.48 -33.92 1.22 Allowed 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.196 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -36.61 -72.98 0.05 Allowed 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 122.239 1.019 . . . . 0.0 109.878 -178.337 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.677 ' HG2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -81.82 -27.33 33.67 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -49.99 -21.17 1.13 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 176.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -88.47 -46.96 8.7 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 104.298 -2.482 . . . . 0.0 104.298 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 89' ' ' ARG . 2.9 t -38.78 -51.43 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.668 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 tttp -60.39 -56.47 21.11 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.567 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 t70 -39.23 -24.3 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.778 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.548 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -89.4 -42.97 11.21 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.595 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 5.5 mt -41.06 -58.98 1.6 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.491 0.662 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.668 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.87 -1.43 11.73 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.622 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.96 -28.34 16.49 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.577 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.92 -26.06 17.76 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 121.355 -0.841 . . . . 0.0 109.237 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.637 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -42.13 -33.69 0.63 Allowed Pre-proline 0 C--N 1.305 -1.368 0 O-C-N 121.434 -0.791 . . . . 0.0 109.38 -178.076 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.4 Cg_exo -73.72 2.76 5.53 Favored 'Trans proline' 0 C--N 1.301 -1.942 0 O-C-N 124.476 1.777 . . . . 0.0 111.565 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.9 ttmt -89.96 -48.22 7.35 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.448 -0.782 . . . . 0.0 111.646 -177.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.637 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.297 -1.709 0 O-C-N 121.656 -0.652 . . . . 0.0 109.851 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.53 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 p . . . . . 0 C--O 1.214 -0.764 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.547 HD23 ' CD1' ' A' ' 95' ' ' LEU . 9.2 tp -99.05 -55.38 2.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.681 -0.808 . . . . 0.0 113.117 -175.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.486 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 43.9 tp -159.06 149.99 19.98 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 119.501 -1.999 . . . . 0.0 111.792 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.641 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -121.36 129.86 75.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG21 ' CG2' ' A' ' 15' ' ' VAL . 3.3 m -127.41 131.98 69.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.951 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -80.83 -81.24 0.13 Allowed 'General case' 0 C--O 1.19 -2.027 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.042 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -49.87 115.01 1.21 Allowed 'General case' 0 C--N 1.267 -2.979 0 O-C-N 119.941 -1.724 . . . . 0.0 112.074 -177.55 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.774 ' HB ' ' O ' ' A' ' 22' ' ' GLY . 45.1 t -142.79 145.8 22.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.605 172.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -124.11 130.73 53.05 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.8 pt20 -136.95 135.73 37.95 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.5 mttt -36.17 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.817 -0.552 . . . . 0.0 111.727 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 ptpt -83.45 -55.13 4.48 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.288 -1.508 . . . . 0.0 110.406 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 23.3 mm100 -151.38 168.89 23.42 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.816 0.817 . . . . 0.0 111.456 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -105.9 127.77 53.35 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 101.155 -3.646 . . . . 0.0 101.155 176.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.774 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.06 166.78 36.47 Favored Glycine 0 C--N 1.297 -1.59 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.951 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 155.29 22.12 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.527 -1.572 . . . . 0.0 111.906 -176.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.666 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 3.8 mt -118.09 121.97 41.92 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.214 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.641 ' CE1' HG13 ' A' ' 11' ' ' ILE . 22.1 m-85 -110.21 124.77 52.19 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.598 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 10.3 tt -112.69 134.18 54.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 119.659 -1.901 . . . . 0.0 110.25 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.53 ' CE ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -109.88 153.39 24.53 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.62 -55.25 1.14 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.629 -0.67 . . . . 0.0 111.685 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 1.4 tt0 -103.29 18.17 22.39 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 120.254 -1.529 . . . . 0.0 112.313 -177.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.7 OUTLIER -163.85 166.86 21.43 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.005 -1.684 . . . . 0.0 112.636 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -114.44 146.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -138.31 146.4 42.37 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.574 -1.329 . . . . 0.0 112.254 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.868 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 11.6 t90 -113.64 146.63 39.47 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.923 0.868 . . . . 0.0 110.643 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.63 112.58 2.97 Favored Pre-proline 0 C--N 1.3 -1.574 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.604 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.1 Cg_endo . . . . . 0 C--N 1.312 -1.358 0 O-C-N 124.036 1.545 . . . . 0.0 108.71 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.62 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 120.843 0.354 . . . . 0.0 110.527 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.706 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -145.0 151.06 15.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 120.88 -1.137 . . . . 0.0 110.6 -178.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.2 t -158.93 109.88 2.07 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.325 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.616 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.52 117.47 26.89 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 121.251 -0.905 . . . . 0.0 109.339 178.757 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.584 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.3 mtt -61.56 127.67 32.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.652 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . 1.7 m-85 -46.07 -46.28 16.72 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.769 -1.207 . . . . 0.0 109.923 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -67.5 -28.13 67.58 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.988 -1.695 . . . . 0.0 108.337 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.7 m-20 -65.73 -4.89 7.19 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.687 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' TYR . 22.1 pt -142.53 136.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -132.3 103.47 6.23 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.281 -2.137 . . . . 0.0 111.827 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.663 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 172.82 132.4 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.581 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 21.8 mp0 -143.83 131.36 21.11 Favored 'General case' 0 C--N 1.285 -2.215 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.154 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.301 -1.512 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.91 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.19 -2.075 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.91 ' CG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 112.25 80.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 120.347 1.43 . . . . 0.0 112.698 177.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HB3' ' CD2' ' A' ' 78' ' ' HIS . 3.1 pt20 -123.91 134.46 53.53 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.589 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.15 167.21 15.72 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.616 -1.303 . . . . 0.0 109.899 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -148.79 137.66 21.44 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 120.862 -1.148 . . . . 0.0 111.402 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -137.59 150.7 47.64 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.663 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.9 t -126.66 158.78 36.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.127 -1.429 . . . . 0.0 110.81 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.762 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.77 140.79 30.06 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.514 -177.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.502 ' C ' ' O ' ' A' ' 69' ' ' LEU . 12.2 p80 -46.27 -31.91 2.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -69.18 -155.3 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.335 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.73 54.8 0.53 Allowed Glycine 0 C--N 1.293 -1.807 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.59 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 33.9 m-20 -135.89 130.56 34.0 Favored 'General case' 0 C--N 1.289 -2.052 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.325 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 68' ' ' VAL . 1.3 m -107.15 158.65 16.92 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.572 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -128.87 109.55 11.36 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 179.135 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -108.94 130.44 55.45 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.868 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -136.58 147.51 47.03 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.423 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.845 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 42.4 t-80 -148.91 164.79 33.47 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.89 1.329 . . . . 0.0 111.285 -177.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.845 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 65.5 m-85 . . . . . 0 C--N 1.281 -2.405 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.434 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.216 -0.696 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 15.9 m -153.53 -119.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 O-C-N 121.704 -0.623 . . . . 0.0 110.736 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -37.76 -65.54 0.32 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.48 -0.762 . . . . 0.0 111.477 -179.196 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -36.97 -72.68 0.06 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.752 0.787 . . . . 0.0 109.42 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' ' CD1' ' A' ' 79' ' ' PHE . 5.0 mmt180 -51.79 -38.05 54.0 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -58.88 -17.93 28.5 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -88.86 -39.59 13.72 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.533 ' CG2' ' CG1' ' A' ' 12' ' ' VAL . 37.8 t -55.39 -67.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.77 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.2 tttt -51.37 -38.75 54.92 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.585 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.4 t70 -52.21 -28.09 17.18 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.512 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.547 ' CD1' HD23 ' A' ' 9' ' ' LEU . 3.5 mm? -92.56 -48.13 6.77 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.992 -1.068 . . . . 0.0 109.359 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 5.9 mt -44.13 -68.42 0.2 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.494 -0.754 . . . . 0.0 112.482 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.77 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -58.36 -2.99 0.23 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.13 -0.981 . . . . 0.0 111.215 -178.637 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -98.44 -30.87 12.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.938 -1.101 . . . . 0.0 108.864 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -88.58 -35.23 17.01 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 18.8 mt -51.51 -34.35 13.61 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -71.81 -1.7 10.31 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.309 1.689 . . . . 0.0 110.744 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LEU . 80.2 tttt -91.73 -37.11 13.2 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.279 -0.888 . . . . 0.0 110.819 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.652 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.636 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 26' ' ' LEU . 2.5 p . . . . . 0 C--O 1.215 -0.719 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 95' ' ' LEU . 13.6 tp -99.24 -48.53 4.79 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.589 -0.844 . . . . 0.0 113.116 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 tp -158.04 167.6 29.43 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 119.377 -2.077 . . . . 0.0 111.342 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -139.09 137.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 HG12 ' NH1' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -124.29 96.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 122.266 1.031 . . . . 0.0 109.966 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.95 -18.66 3.67 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.979 0.895 . . . . 0.0 111.113 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.6 tptp -115.18 118.61 33.82 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.638 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.752 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 11.5 t -150.37 146.43 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 C-N-CA 117.878 -1.529 . . . . 0.0 108.858 174.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.58 127.49 50.96 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.877 -177.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.639 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 1.5 pt20 -132.8 132.5 42.26 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.26 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.987 -0.446 . . . . 0.0 110.976 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 17' ' ' GLN . 15.5 ptmt -80.12 -54.82 5.41 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.594 -1.316 . . . . 0.0 110.088 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.546 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 16.7 mm-40 -151.37 168.49 24.65 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.744 0.783 . . . . 0.0 110.927 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -106.12 130.54 54.0 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 101.019 -3.697 . . . . 0.0 101.019 176.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.85 166.05 36.02 Favored Glycine 0 C--N 1.292 -1.909 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.536 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 132.56 34.35 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.994 1.378 . . . . 0.0 110.183 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.752 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.27 132.87 53.24 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.178 -176.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.663 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 9.5 m-85 -109.85 139.19 45.21 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.581 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -113.0 133.54 54.91 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 119.807 -1.808 . . . . 0.0 107.58 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.552 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 6.0 ttt -126.03 140.42 52.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -39.89 -58.26 1.42 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.775 0.798 . . . . 0.0 109.057 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tp10 -86.93 -10.03 54.26 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -175.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.64 163.75 36.63 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 119.216 -2.177 . . . . 0.0 112.686 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.592 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 2.0 mm -110.79 136.06 47.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' ' 43' ' ' ILE . . . -123.21 147.26 47.07 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 120.971 -1.081 . . . . 0.0 110.728 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.749 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 17.4 t90 -124.98 140.66 52.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.37 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.09 120.98 3.62 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.927 -0.483 . . . . 0.0 109.99 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.597 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 3.2 Cg_endo . . . . . 0 C--N 1.311 -1.396 0 O-C-N 123.728 1.383 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.62 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.782 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.749 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.25 159.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.112 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 9.5 t -168.07 101.87 0.45 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.287 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.59 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -109.9 121.89 46.28 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.004 -1.06 . . . . 0.0 109.659 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.505 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 5.6 mtt -69.91 108.73 4.13 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.011 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 2.1 m-30 -39.48 -46.08 1.64 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.728 -0.608 . . . . 0.0 110.368 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.16 79.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 119.43 -2.043 . . . . 0.0 107.809 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.681 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 5.8 m-20 -48.09 -33.89 8.87 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.67 ' HB ' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -113.0 160.19 12.65 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.32 -177.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -150.19 103.66 3.19 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 119.246 -2.159 . . . . 0.0 113.382 -179.545 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.675 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.12 137.13 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.565 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . 3.3 mm-40 -143.61 128.24 18.12 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 117.745 -1.582 . . . . 0.0 111.273 -177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.647 0 CA-C-N 114.404 -1.271 . . . . 0.0 107.655 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.793 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.201 -1.497 0 CA-C-O 117.428 -1.272 . . . . 0.0 112.648 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.793 ' CD1' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 103.08 61.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 CA-C-N 120.444 1.474 . . . . 0.0 112.89 177.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -108.59 132.46 53.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 119.638 -1.914 . . . . 0.0 111.918 -177.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.613 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -118.19 161.0 20.6 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.887 -1.133 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.6 tt0 -150.21 132.85 15.82 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-O 121.662 0.744 . . . . 0.0 110.354 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.89 155.35 45.52 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -178.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.675 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.4 t -131.05 157.7 43.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 123.1 1.428 . . . . 0.0 110.89 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.81 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.86 145.55 25.07 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 113.65 -1.614 . . . . 0.0 109.418 -176.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 8.3 p80 -48.92 -27.84 3.39 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.74 -154.3 0.08 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.5 53.16 0.6 Allowed Glycine 0 C--N 1.296 -1.651 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.605 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 4.9 m-20 -129.05 131.26 47.32 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.518 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.69 165.07 11.7 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.584 HG23 ' CE1' ' A' ' 45' ' ' HIS . 1.9 m -132.32 106.63 8.03 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.478 ' OD1' ' HG3' ' A' ' 66' ' ' GLN . 1.5 m-80 -111.59 136.98 50.05 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.795 -1.191 . . . . 0.0 107.847 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.697 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -148.97 147.54 28.72 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 117.695 -1.602 . . . . 0.0 111.312 -179.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.645 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 64.3 t-80 -137.44 163.3 31.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.266 1.031 . . . . 0.0 109.805 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.759 ' O ' HD11 ' A' ' 63' ' ' ILE . 6.9 m-85 . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.506 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 121.524 0.678 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.9 t -152.68 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 121.54 0.686 . . . . 0.0 111.58 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.3 mttt -52.12 -42.98 63.75 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 121.469 -0.769 . . . . 0.0 111.775 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -38.38 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.638 1.208 . . . . 0.0 110.238 -179.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.627 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.3 mmt180 -56.54 -42.55 78.69 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -58.34 -11.58 2.92 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.969 178.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' LYS . . . -95.02 -37.61 11.04 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.992 -1.067 . . . . 0.0 108.64 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.695 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -65.18 -40.89 90.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 177.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.703 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -67.23 -40.48 86.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.606 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 50.5 t0 -55.57 -22.07 20.23 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.523 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.6 mm? -91.22 -44.95 8.91 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.585 ' CD1' ' HG ' ' A' ' 65' ' ' LEU . 12.9 mt -36.96 -68.94 0.13 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.764 0.792 . . . . 0.0 111.115 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.703 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.25 -0.81 0.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.695 -0.628 . . . . 0.0 111.636 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.22 -28.89 12.4 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.229 -0.919 . . . . 0.0 108.871 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.567 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -87.17 -35.76 18.41 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.34 -0.85 . . . . 0.0 109.116 179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.62 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 0.3 OUTLIER -43.13 -40.43 5.43 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 42.8 Cg_exo -60.38 -38.06 77.27 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 O-C-N 124.505 1.792 . . . . 0.0 110.454 178.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.1 tttt -48.9 -49.08 41.61 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.419 0.628 . . . . 0.0 111.197 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.298 -1.652 0 O-C-N 121.461 -0.774 . . . . 0.0 109.84 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.583 ' CG1' ' CE ' ' A' ' 27' ' ' MET . 1.7 m . . . . . 0 C--O 1.215 -0.718 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 9' ' ' LEU . 15.0 tp -99.19 -54.21 3.03 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.632 -0.827 . . . . 0.0 112.563 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 163.54 37.89 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 119.517 -1.989 . . . . 0.0 112.173 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.649 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.35 143.07 30.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 121.63 0.728 . . . . 0.0 110.384 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.563 ' CG1' HG21 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -123.46 128.66 74.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.7 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.46 -81.63 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.838 0 O-C-N 120.953 -1.092 . . . . 0.0 113.551 -175.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -109.22 104.1 13.19 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 118.884 -2.385 . . . . 0.0 115.086 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.558 ' CG2' HG21 ' A' ' 12' ' ' VAL . 93.0 t -106.12 166.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -119.6 137.67 53.71 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.669 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 10.1 pt20 -141.68 148.28 38.84 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.82 -19.97 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.325 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.603 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 6.0 ptmm? -101.77 -53.9 2.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.106 -1.621 . . . . 0.0 111.379 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.37 168.89 23.39 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.942 0.877 . . . . 0.0 111.213 -173.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.485 ' CG ' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.58 134.29 48.94 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 177.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.412 ' HA3' ' NE1' ' A' ' 33' ' ' TRP . . . -161.09 166.12 35.57 Favored Glycine 0 C--N 1.29 -2.021 0 N-CA-C 106.946 -2.462 . . . . 0.0 106.946 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.7 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.73 146.56 28.95 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.947 -1.913 . . . . 0.0 108.54 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.654 ' CD1' ' CG ' ' A' ' 77' ' ' PHE . 1.2 mt -108.71 123.64 49.31 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.684 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.649 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 3.5 m-85 -109.89 137.11 48.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 99' ' ' LEU . 15.7 tp -118.68 136.01 54.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 119.56 -1.962 . . . . 0.0 107.382 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.583 ' CE ' ' CG1' ' A' ' 8' ' ' VAL . 2.5 ttm -119.35 155.62 31.57 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.52 -55.62 1.08 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.656 -0.652 . . . . 0.0 111.207 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -108.21 9.71 28.03 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 120.172 -1.58 . . . . 0.0 112.463 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -155.65 165.6 36.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 119.275 -2.14 . . . . 0.0 112.754 -179.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.595 HG21 ' CD2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -115.98 125.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -109.78 152.63 25.45 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.294 -0.879 . . . . 0.0 109.953 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.748 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 28.4 t90 -136.48 141.1 43.47 Favored 'General case' 0 C--O 1.199 -1.598 0 O-C-N 121.421 -0.799 . . . . 0.0 109.704 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.99 123.87 4.17 Favored Pre-proline 0 C--N 1.296 -1.719 0 C-N-CA 119.408 -0.917 . . . . 0.0 112.02 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.582 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.7 Cg_endo . . . . . 0 C--N 1.307 -1.653 0 O-C-N 123.897 1.472 . . . . 0.0 108.57 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 33' ' ' TRP . 1.8 t . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.572 ' N ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -146.65 168.26 6.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 O-C-N 121.043 -1.036 . . . . 0.0 109.593 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 43' ' ' ILE . 3.3 p -157.47 119.53 3.78 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -114.59 123.36 49.15 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.98 -1.075 . . . . 0.0 110.158 -179.416 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.518 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -67.16 109.16 2.94 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.614 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 1.9 m-30 -40.74 -42.87 1.86 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.538 -0.727 . . . . 0.0 109.951 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 50' ' ' ILE . . . -67.26 -46.22 74.35 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.334 -1.479 . . . . 0.0 108.047 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.518 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.8 m-20 -45.26 -29.8 1.08 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.612 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 2.8 pp -112.93 160.94 12.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.347 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -147.29 102.84 3.52 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 116.868 -1.933 . . . . 0.0 110.72 176.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.628 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.5 127.92 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.546 ' HG2' ' CD2' ' A' ' 100' ' ' LEU . 28.3 mp0 -143.51 127.19 17.07 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 117.813 -1.555 . . . . 0.0 111.246 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tttm . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.909 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.193 -1.886 0 CA-C-O 116.725 -1.607 . . . . 0.0 111.857 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.909 ' CG2' ' O ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER 113.14 81.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.8 1.636 . . . . 0.0 112.198 177.733 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -132.15 140.22 48.68 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 178.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.595 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -129.34 162.45 27.95 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.741 -1.224 . . . . 0.0 109.717 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.518 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -142.83 120.26 11.67 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.762 0.791 . . . . 0.0 110.904 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.612 ' CD2' ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -127.69 152.08 48.16 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.326 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.628 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.4 t -131.31 157.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 C-N-CA 117.22 -1.792 . . . . 0.0 112.252 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.781 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -91.38 145.08 24.93 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.484 -176.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 93.1 m-70 -45.35 -32.41 2.04 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -74.93 -153.87 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.431 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.96 50.56 0.76 Allowed Glycine 0 C--N 1.299 -1.476 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.593 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 44.0 m-20 -128.64 127.78 42.87 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.488 -0.931 . . . . 0.0 108.488 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 10.5 m -108.68 160.26 16.08 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -118.5 115.46 24.66 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.518 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 76.1 m-20 -115.26 122.14 45.04 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.748 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -129.62 144.56 51.33 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.689 -1.604 . . . . 0.0 109.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.773 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 50.3 t-80 -148.85 142.96 25.96 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.575 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.773 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.282 -2.355 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.595 ' HB1' ' CB ' ' A' ' 79' ' ' PHE . . . . . . . . 0 C--O 1.216 -0.708 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -149.43 -112.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.068 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.704 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.3 tttt -54.1 -65.12 0.63 Allowed 'General case' 0 C--O 1.205 -1.245 0 O-C-N 120.615 -1.303 . . . . 0.0 111.297 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -35.56 -67.1 0.17 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.991 -1.068 . . . . 0.0 110.655 -178.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HG2' ' OE1' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -58.97 -29.82 67.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.2 t0 -61.73 -16.33 48.35 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -87.71 -30.25 20.49 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.563 HG21 ' CG1' ' A' ' 12' ' ' VAL . 42.4 t -59.07 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.746 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -46.52 -36.96 7.28 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.587 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 33.6 t0 -52.97 -30.59 35.82 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 99' ' ' LEU . 3.2 mm? -92.82 -42.87 9.3 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.313 -0.867 . . . . 0.0 109.104 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 12.9 mt -43.1 -68.09 0.22 Allowed 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.614 -0.679 . . . . 0.0 112.022 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.746 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -61.51 -0.99 0.47 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.616 -1.303 . . . . 0.0 110.85 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.444 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -90.94 -39.75 12.09 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.047 -1.033 . . . . 0.0 108.504 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -82.5 -26.6 32.41 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.248 -0.908 . . . . 0.0 108.952 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.6 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 20.7 mt -56.48 -37.17 54.57 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.6 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 38.1 Cg_exo -69.97 -4.18 13.65 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.203 1.633 . . . . 0.0 110.623 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -85.93 -29.73 23.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 110.389 -179.104 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.487 0 O-C-N 121.229 -0.92 . . . . 0.0 109.802 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' A' ' 27' ' ' MET . 2.6 m . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 121.836 0.826 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 15.6 tp -98.72 -50.14 4.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.067 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.531 ' CD2' HG21 ' A' ' 92' ' ' VAL . 5.0 tt -159.1 148.17 18.49 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.46 -2.025 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.23 150.37 21.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-O 122.823 1.297 . . . . 0.0 111.117 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' CG1' ' NH1' ' A' ' 89' ' ' ARG . 35.8 m -134.84 113.52 16.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -59.23 -18.19 34.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.866 179.306 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 1.1 tptt -117.7 122.01 42.37 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.988 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.709 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 22.7 t -151.49 151.88 11.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -123.42 130.75 53.16 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-O 121.73 0.776 . . . . 0.0 109.575 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' A' ' 19' ' ' LYS . 16.3 pt20 -137.06 131.0 32.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.68 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.682 -0.636 . . . . 0.0 111.402 -174.168 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.648 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -74.96 -57.45 3.89 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.614 -1.304 . . . . 0.0 110.15 178.259 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.648 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 7.9 tt0 -152.14 168.59 24.83 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.71 -0.619 . . . . 0.0 109.8 -173.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -105.77 128.48 53.73 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 176.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.57 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.52 165.65 35.65 Favored Glycine 0 C--N 1.294 -1.779 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.31 136.24 33.99 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 123.147 1.451 . . . . 0.0 111.7 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.709 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.4 mt -107.68 131.78 54.03 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.02 -176.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.713 ' HA ' HD12 ' A' ' 11' ' ' ILE . 30.9 m-85 -111.47 131.5 55.17 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.385 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 2.6 tt -109.99 128.53 55.45 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -118.1 153.15 34.25 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.16 -55.68 0.96 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.982 -0.449 . . . . 0.0 110.985 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.2 tt0 -105.92 5.15 30.3 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.357 -1.464 . . . . 0.0 112.406 -177.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.554 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -158.83 165.57 33.92 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 119.12 -2.237 . . . . 0.0 113.423 -179.239 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.587 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.2 mm -108.87 136.67 43.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HA ' HG23 ' A' ' 43' ' ' ILE . . . -125.18 150.24 47.15 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.958 -1.089 . . . . 0.0 111.118 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.802 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 21.9 t90 -123.61 143.92 49.92 Favored 'General case' 0 C--O 1.193 -1.872 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.29 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' ALA . . . -150.56 165.24 17.86 Favored Pre-proline 0 C--N 1.295 -1.768 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.652 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.394 0 O-C-N 123.81 1.427 . . . . 0.0 108.84 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.162 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.802 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -154.55 154.3 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 121.551 -0.718 . . . . 0.0 109.821 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 p -162.66 101.95 1.04 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.039 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.81 115.45 29.85 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.122 -0.986 . . . . 0.0 109.363 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.41 115.26 4.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.492 -0.755 . . . . 0.0 109.496 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.701 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-30 -39.86 -43.69 1.51 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.808 -0.558 . . . . 0.0 109.871 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.74 -42.5 86.14 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 120.107 -1.62 . . . . 0.0 107.68 177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.1 m-20 -62.12 -5.47 2.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.652 177.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.569 ' O ' ' O ' ' A' ' 47' ' ' TYR . 1.3 mt -131.69 140.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -147.22 103.04 3.55 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 116.373 -2.131 . . . . 0.0 111.145 175.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.629 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER 172.68 121.74 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 176.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.581 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -143.5 120.8 11.57 Favored 'General case' 0 C--N 1.279 -2.492 0 C-N-CA 116.978 -1.889 . . . . 0.0 111.805 -177.352 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.82 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.194 -1.831 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.82 ' CG2' ' O ' ' A' ' 62' ' ' LYS 0.335 1.0 OUTLIER 81.94 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 120.962 1.71 . . . . 0.0 114.204 -179.602 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.78 141.66 49.54 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.411 -1.268 . . . . 0.0 107.897 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.584 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.27 166.82 20.36 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.543 -1.348 . . . . 0.0 111.178 -179.575 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -142.08 134.88 28.53 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.826 0.822 . . . . 0.0 110.726 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 50' ' ' ILE . 1.1 tp -141.6 137.97 32.28 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.629 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 1.8 t -119.25 159.05 20.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-O 122.855 1.312 . . . . 0.0 110.548 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.786 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -93.02 144.55 25.14 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.94 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 4.5 p80 -45.65 -31.24 1.83 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -72.18 -149.35 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.04 51.13 0.73 Allowed Glycine 0 C--N 1.297 -1.633 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.564 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.47 135.31 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.634 -178.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.508 HG21 ' CG2' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.26 154.46 21.75 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.774 -0.771 . . . . 0.0 109.082 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 45' ' ' HIS . 1.6 m -123.82 112.0 16.78 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -109.42 135.69 50.04 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.695 -1.253 . . . . 0.0 108.636 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.747 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -140.56 151.33 44.63 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.412 -1.315 . . . . 0.0 110.613 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.705 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.2 t-80 -143.97 151.69 40.09 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.278 1.037 . . . . 0.0 110.096 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.705 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 62.9 m-85 . . . . . 0 C--N 1.283 -2.304 0 CA-C-O 122.186 0.993 . . . . 0.0 111.115 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 121.17 0.51 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.86 -141.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 121.042 -1.036 . . . . 0.0 111.624 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.597 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -51.86 -16.55 0.73 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.474 0.654 . . . . 0.0 110.356 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.21 -73.67 0.06 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.462 1.125 . . . . 0.0 108.39 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.674 ' HG3' ' HB3' ' A' ' 79' ' ' PHE . 1.4 mmp_? -70.09 -34.05 72.67 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.597 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.3 t0 -42.24 -49.15 5.0 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -57.41 -54.77 43.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 176.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 10' ' ' LEU . 38.5 t -40.3 -54.48 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.651 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -49.74 -51.05 41.74 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.639 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 5.6 t0 -39.92 -62.86 0.66 Allowed 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.1 mt -41.55 -56.45 2.56 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.619 ' CA ' HD12 ' A' ' 99' ' ' LEU . 12.1 mt -38.14 -68.1 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.444 0.64 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.73 -1.34 6.8 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 118.989 -1.084 . . . . 0.0 110.372 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.13 -36.03 15.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -88.1 -25.08 23.2 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 121.126 -0.984 . . . . 0.0 108.449 178.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.667 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -43.04 -36.12 1.54 Allowed Pre-proline 0 C--N 1.302 -1.498 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -177.013 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.0 Cg_exo -75.05 4.36 4.84 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 O-C-N 124.575 1.829 . . . . 0.0 111.809 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 99' ' ' LEU . 4.8 tttt -98.75 -42.98 6.96 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 112.24 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.49 0 O-C-N 120.785 -1.197 . . . . 0.0 110.08 -175.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.743 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 95' ' ' LEU . 20.9 tp -98.67 -31.01 12.14 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.482 -0.887 . . . . 0.0 113.0 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 6.2 tt -177.4 150.39 0.7 Allowed 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.133 -2.229 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.676 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -131.03 137.11 56.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.497 HG21 HG21 ' A' ' 92' ' ' VAL . 1.3 m -127.27 123.4 61.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.946 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.61 -82.0 0.03 OUTLIER 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 117.971 -1.492 . . . . 0.0 108.993 -178.651 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' HG22 ' A' ' 15' ' ' VAL . 1.4 mptt -48.6 117.59 2.1 Favored 'General case' 0 C--N 1.274 -2.698 0 O-C-N 120.035 -1.666 . . . . 0.0 112.03 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.739 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 55.9 t -146.11 144.7 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-O 122.174 0.988 . . . . 0.0 108.55 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.78 135.99 54.93 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.4 pt20 -143.51 133.89 24.68 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.14 -25.15 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.727 -173.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -76.19 -58.9 3.01 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.696 -1.252 . . . . 0.0 109.521 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.619 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.74 169.23 22.71 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.743 0.782 . . . . 0.0 110.925 -174.651 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 m-20 -105.67 132.62 51.59 Favored 'General case' 0 C--N 1.293 -1.878 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.605 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.89 166.4 36.19 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -174.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.946 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.74 133.51 34.36 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.922 1.344 . . . . 0.0 110.482 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.739 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.54 133.87 52.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.832 -175.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.676 ' CE1' HG13 ' A' ' 11' ' ' ILE . 16.1 m-85 -112.26 139.03 48.15 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 8.5 tt -118.42 136.91 53.5 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 119.779 -1.826 . . . . 0.0 108.399 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.514 ' HE1' ' CD ' ' A' ' 30' ' ' ARG . 3.4 ttp -134.32 139.67 45.84 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.56 -55.91 1.07 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.625 -0.672 . . . . 0.0 110.465 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -85.21 -16.13 41.3 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.33 -175.284 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.01 163.35 37.84 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.607 -1.933 . . . . 0.0 112.33 179.549 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.584 HG21 ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.0 129.26 68.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.519 ' O ' ' CD2' ' A' ' 24' ' ' LEU . . . -110.06 160.06 16.77 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.233 -0.917 . . . . 0.0 111.017 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.684 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 21.2 t90 -139.58 144.93 38.0 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.999 0.904 . . . . 0.0 110.403 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.14 119.06 3.39 Favored Pre-proline 0 C--N 1.293 -1.869 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.471 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 5.3 Cg_endo . . . . . 0 C--N 1.309 -1.525 0 O-C-N 123.934 1.491 . . . . 0.0 109.215 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.619 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.214 -0.766 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.632 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 3.5 pt -151.56 173.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.669 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.9 m -166.82 109.28 0.7 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.632 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.53 128.92 55.54 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.868 -1.145 . . . . 0.0 110.539 -178.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.1 mpp? -73.13 108.86 6.25 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.694 ' CE2' HD11 ' A' ' 99' ' ' LEU . 11.8 m-85 -30.81 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.665 -0.647 . . . . 0.0 112.29 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -65.88 -45.52 81.75 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 120.154 -1.591 . . . . 0.0 108.282 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 46' ' ' MET . 0.9 OUTLIER -66.08 -5.99 11.61 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.61 ' CD1' ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -123.5 105.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HE3' ' CA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -130.52 103.33 6.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 115.9 -2.32 . . . . 0.0 113.526 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.658 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.41 140.36 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 176.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.523 ' NE2' ' HG ' ' A' ' 100' ' ' LEU . 2.5 mt-30 -142.42 120.81 12.38 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 117.031 -1.868 . . . . 0.0 111.173 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-N 113.314 -1.766 . . . . 0.0 108.291 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.672 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.798 HG12 ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -151.58 84.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-O 122.836 1.303 . . . . 0.0 114.378 -177.183 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' HB3' ' CD2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -109.09 124.58 51.0 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 119.727 -1.858 . . . . 0.0 108.067 178.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.33 166.2 11.71 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.154 -0.966 . . . . 0.0 110.701 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -143.43 134.96 26.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 121.145 -0.972 . . . . 0.0 111.012 -179.401 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.1 tt -136.88 134.79 37.23 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.658 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.2 t -109.84 157.11 10.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 C-N-CA 117.583 -1.647 . . . . 0.0 110.834 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.2 mm? -84.4 147.68 27.0 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.006 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 31.6 m-70 -47.35 -38.43 12.96 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.24 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.376 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.36 52.34 0.65 Allowed Glycine 0 C--N 1.3 -1.449 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.56 ' O ' HD21 ' A' ' 69' ' ' LEU . 9.0 t0 -128.8 142.22 51.05 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.527 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.519 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.2 OUTLIER -108.41 158.79 17.2 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.01 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 18.6 m -132.58 104.24 6.57 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -109.77 145.75 36.13 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.842 -1.161 . . . . 0.0 109.078 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.684 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -150.61 142.64 23.99 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.412 1.101 . . . . 0.0 110.36 179.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.672 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 52.2 t-80 -144.61 166.74 24.33 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.735 -175.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.69 ' CG ' ' HG2' ' A' ' 89' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.629 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.587 ' N ' ' NH2' ' A' ' 89' ' ' ARG . 2.3 t -129.37 -66.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 123.187 2.721 . . . . 0.0 112.033 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -59.65 -64.41 0.95 Allowed 'General case' 0 CA--C 1.556 1.19 0 O-C-N 120.799 -1.188 . . . . 0.0 113.693 -178.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.59 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 1.9 mt-10 -35.6 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.237 -0.914 . . . . 0.0 111.211 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.746 ' CD ' HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.85 -21.37 64.28 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 117.841 -1.543 . . . . 0.0 108.433 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.573 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -45.07 -55.67 5.41 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -58.89 -54.01 51.92 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 89' ' ' ARG . 54.0 t -39.5 -63.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.593 0.711 . . . . 0.0 109.901 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.744 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 3.9 tttm -58.7 -47.93 82.87 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.549 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 26.0 t0 -46.26 -19.7 0.08 Allowed 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.3 mt -89.33 -44.27 10.34 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.677 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 1.1 mt -37.3 -65.36 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.831 0.824 . . . . 0.0 109.405 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.744 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.2 -1.75 11.15 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.105 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -100.0 -28.61 12.99 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.427 -0.796 . . . . 0.0 109.589 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.694 HD11 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -87.25 -31.64 20.16 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.0 -1.063 . . . . 0.0 109.179 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.646 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -40.77 -40.12 2.04 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 41.5 Cg_exo -65.3 -37.89 29.21 Favored 'Trans proline' 0 C--N 1.299 -2.075 0 O-C-N 124.659 1.873 . . . . 0.0 111.214 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 99' ' ' LEU . 10.8 tttm -50.33 -51.7 43.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.619 0.723 . . . . 0.0 111.607 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.683 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.607 -0.683 . . . . 0.0 109.611 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.598 ' CG1' ' CE ' ' A' ' 27' ' ' MET . 2.0 m . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 121.829 0.823 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.84 -47.89 5.12 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.003 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 95' ' ' LEU . 26.8 tp -158.38 143.07 16.15 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.675 -1.891 . . . . 0.0 110.136 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 136.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.351 -0.843 . . . . 0.0 110.019 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' CG2' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -119.26 100.16 9.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-O 122.198 0.999 . . . . 0.0 108.613 177.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.76 -18.9 9.41 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.02 0.914 . . . . 0.0 110.954 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 15' ' ' VAL . 9.0 tptt -115.93 120.45 39.23 Favored 'General case' 0 C--N 1.28 -2.45 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.24 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.667 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 t -150.75 148.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.489 -1.285 . . . . 0.0 109.301 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' NH1' ' OD2' ' A' ' 21' ' ' ASP . 9.7 tpp180 -123.55 134.66 53.81 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.639 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 8.5 pt20 -141.58 134.82 29.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' GLN . 11.4 mttp -36.68 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.847 -0.533 . . . . 0.0 111.382 -174.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 ptpm? -80.98 -55.9 4.48 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.514 -1.367 . . . . 0.0 110.472 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.569 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.49 168.67 24.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 110.228 -175.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.52 ' OD2' ' NH1' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -106.1 129.98 54.09 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 101.027 -3.694 . . . . 0.0 101.027 175.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.58 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.75 165.9 35.9 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.596 -176.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 134.64 34.39 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 123.2 1.476 . . . . 0.0 111.143 -176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.667 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.6 mt -107.93 134.32 51.02 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.7 -175.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 7.5 m-85 -116.85 135.18 53.94 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.535 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 1.7 tt -109.77 130.08 55.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.175 -1.578 . . . . 0.0 106.974 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.598 ' CE ' ' CG1' ' A' ' 8' ' ' VAL . 6.0 ttm -116.04 153.8 31.05 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.6 -55.45 1.12 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.824 -0.548 . . . . 0.0 111.165 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.7 tt0 -105.94 7.98 32.34 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.357 -1.464 . . . . 0.0 112.769 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HB2' ' C ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -159.56 165.31 33.14 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 119.241 -2.162 . . . . 0.0 113.164 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.576 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -109.87 123.4 65.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' LEU . . . -110.8 158.81 18.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.165 0.983 . . . . 0.0 111.498 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.75 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 16.9 t90 -134.42 140.53 46.34 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.253 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.76 159.52 32.3 Favored Pre-proline 0 C--N 1.297 -1.679 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.335 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.316 -1.164 0 O-C-N 123.97 1.51 . . . . 0.0 109.119 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.441 -0.899 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.644 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 2.2 pp -150.72 172.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.118 0.961 . . . . 0.0 111.852 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -168.48 113.34 0.62 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.1 117.16 33.44 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.874 -1.141 . . . . 0.0 109.046 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -64.9 115.14 5.05 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.617 -0.677 . . . . 0.0 110.136 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.1 m-30 -39.04 -45.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.996 -0.44 . . . . 0.0 110.178 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.13 -37.13 78.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 119.96 -1.713 . . . . 0.0 108.391 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.5 m-20 -66.71 -4.69 9.54 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.571 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 47' ' ' TYR . 6.0 pt -137.87 139.05 43.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.433 -0.792 . . . . 0.0 109.121 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -144.0 103.64 4.05 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 119.201 -2.187 . . . . 0.0 112.101 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.627 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.01 128.07 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.444 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' CG ' HD12 ' A' ' 100' ' ' LEU . 1.4 mt-30 -143.57 120.98 11.65 Favored 'General case' 0 C--N 1.285 -2.227 0 C-N-CA 117.646 -1.622 . . . . 0.0 111.314 -177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tttp . . . . . 0 C--N 1.302 -1.464 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 121.59 0.709 . . . . 0.0 109.821 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -162.78 82.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 C-N-CA 118.467 -1.293 . . . . 0.0 113.997 -176.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.54 133.74 55.56 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.574 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.29 166.67 13.7 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.605 -1.31 . . . . 0.0 111.062 -178.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.94 129.35 21.25 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.724 0.773 . . . . 0.0 110.545 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD22 ' CG1' ' A' ' 50' ' ' ILE . 1.9 tt -133.28 149.72 51.93 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 1.9 t -125.64 158.74 34.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-O 123.294 1.521 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -93.51 144.16 25.62 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.051 -177.179 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.6 p80 -45.22 -30.84 1.29 Allowed 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.07 -148.93 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.6 53.08 0.62 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.584 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 7.3 m-20 -128.99 129.78 45.83 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 119.749 -0.78 . . . . 0.0 108.976 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 2.0 m -108.05 158.37 17.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -125.5 115.8 20.8 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.393 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.07 130.59 55.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -143.42 152.66 41.82 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.224 -1.39 . . . . 0.0 111.027 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.834 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.3 t-80 -150.32 162.97 39.48 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.961 1.363 . . . . 0.0 112.343 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.834 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 27.3 m-85 . . . . . 0 C--N 1.291 -1.937 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.757 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 87' ' ' LYS . 77.8 t -144.23 -101.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 O-C-N 118.81 -2.431 . . . . 0.0 111.116 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.508 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -34.85 -65.56 0.21 Allowed 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.995 -178.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -36.9 -62.17 0.5 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.014 0.912 . . . . 0.0 110.485 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.649 ' HD2' ' CD2' ' A' ' 79' ' ' PHE . 9.9 mmt180 -60.96 -47.33 86.91 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 4.8 m-20 -52.34 -16.59 0.89 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.688 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.594 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -96.5 -30.93 13.05 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 89' ' ' ARG . 4.0 t -66.49 -55.54 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.622 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.8 ttpt -53.21 -51.2 62.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' LYS . 32.3 m-20 -38.55 -69.49 0.12 Allowed 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -41.68 -51.41 4.09 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 121.486 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -39.71 -65.9 0.35 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.696 0.76 . . . . 0.0 110.182 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.622 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -67.52 -2.53 6.68 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.379 -0.826 . . . . 0.0 110.055 -179.684 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.01 -35.17 11.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.175 -0.953 . . . . 0.0 109.577 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -90.07 -29.47 18.34 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 121.003 -1.061 . . . . 0.0 108.395 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.631 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -43.15 -41.64 7.21 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -62.1 -36.35 70.59 Favored 'Trans proline' 0 C--N 1.299 -2.031 0 O-C-N 124.601 1.843 . . . . 0.0 110.5 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -49.94 -43.31 49.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.711 -0.618 . . . . 0.0 111.464 -179.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.461 0 O-C-N 121.053 -1.029 . . . . 0.0 110.165 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.215 -0.712 0 CA-C-O 121.784 0.802 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -98.68 -48.08 5.09 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.338 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -159.33 142.22 14.18 Favored 'General case' 0 C--N 1.311 -1.077 0 O-C-N 119.5 -2.0 . . . . 0.0 110.828 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.613 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -118.84 133.35 65.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 O-C-N 121.486 -0.759 . . . . 0.0 110.117 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' A' ' 15' ' ' VAL . 5.9 m -115.69 96.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -56.83 -19.25 16.35 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.943 0.877 . . . . 0.0 110.547 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.16 117.95 30.98 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.499 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.645 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.88 148.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.749 174.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.31 141.99 50.39 Favored 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.6 pt20 -146.11 132.14 19.27 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.71 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.818 -0.551 . . . . 0.0 111.395 -174.04 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.89 -55.56 4.88 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.464 -1.398 . . . . 0.0 110.291 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 38.5 tt0 -151.85 168.48 24.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.655 -0.653 . . . . 0.0 110.033 -174.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 3.0 m-20 -106.1 129.43 54.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 101.701 -3.444 . . . . 0.0 101.701 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.553 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.02 165.96 36.09 Favored Glycine 0 C--N 1.299 -1.505 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.327 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -84.77 134.62 34.31 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 123.227 1.489 . . . . 0.0 111.084 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.645 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.4 mt -107.74 135.64 48.83 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 113.264 -1.789 . . . . 0.0 110.17 -175.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 8.6 m-85 -117.08 133.55 55.86 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 26' ' ' LEU . 4.9 tt -109.97 131.09 55.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.01 -1.681 . . . . 0.0 107.699 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.531 ' HG3' ' N ' ' A' ' 28' ' ' ALA . 2.8 ttt -117.93 152.36 35.6 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.531 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.39 -55.98 1.01 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.825 -0.547 . . . . 0.0 111.504 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 tt0 -103.83 5.81 36.17 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 120.21 -1.556 . . . . 0.0 112.243 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.538 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -159.9 165.83 31.39 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.309 -2.12 . . . . 0.0 113.128 -179.232 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 47' ' ' TYR . 1.4 mm -108.94 137.71 39.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -125.05 150.97 46.24 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.986 -1.071 . . . . 0.0 111.328 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.733 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 17.1 t90 -124.78 143.25 50.9 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.468 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.54 125.95 4.54 Favored Pre-proline 0 C--N 1.295 -1.798 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.749 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.471 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 2.9 Cg_endo . . . . . 0 C--N 1.307 -1.633 0 O-C-N 123.847 1.446 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.625 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.175 0.512 . . . . 0.0 109.827 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.722 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -152.27 157.02 5.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.88 -179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 49.8 p -164.0 102.16 0.88 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.615 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.72 115.67 30.29 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 121.102 -0.999 . . . . 0.0 109.105 179.301 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.538 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -65.47 116.89 7.23 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.447 -0.783 . . . . 0.0 110.277 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.715 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 4.1 m-30 -39.47 -46.25 1.66 Allowed 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.892 -0.505 . . . . 0.0 109.876 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.541 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.11 -37.3 78.3 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 120.09 -1.631 . . . . 0.0 108.461 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' MET . 23.6 m-20 -68.59 -5.01 17.46 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.508 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.575 ' CG1' HD23 ' A' ' 67' ' ' LEU . 8.0 pt -135.76 133.35 51.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.477 -0.764 . . . . 0.0 109.2 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -148.1 104.07 3.52 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 119.261 -2.15 . . . . 0.0 113.531 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.65 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 4.8 t 173.26 133.92 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 6.2 mt-30 -143.55 121.61 12.13 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.038 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.413 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.685 ' HD3' ' CD2' ' A' ' 78' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.16 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.637 ' CG1' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -163.94 84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 O-C-N 120.902 -1.124 . . . . 0.0 113.019 -177.431 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 11.3 pt20 -109.0 130.42 55.48 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.606 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.77 171.28 8.72 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 120.608 -1.308 . . . . 0.0 112.113 -177.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.3 OUTLIER -138.43 131.72 30.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.583 0.706 . . . . 0.0 110.262 -179.741 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD23 ' CG1' ' A' ' 50' ' ' ILE . 6.3 tt -133.54 145.41 50.1 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.65 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.5 t -122.61 158.34 26.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.486 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.767 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -92.5 146.17 23.88 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.588 -176.728 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 52.9 m-70 -45.36 -32.01 1.89 Allowed 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.26 -151.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.229 -1.351 . . . . 0.0 107.805 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.14 52.92 0.61 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.577 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 m-20 -128.82 134.81 48.47 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.235 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.439 ' CG2' HG21 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.48 160.1 15.91 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.228 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.605 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 1.7 m -133.59 107.34 7.93 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 14.7 m-20 -108.83 138.14 45.63 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.924 -1.11 . . . . 0.0 108.244 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.733 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -146.27 150.82 36.52 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.984 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.685 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t-80 -144.15 156.03 44.17 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 122.631 1.205 . . . . 0.0 112.498 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.633 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.531 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.753 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.507 ' CG2' ' OE2' ' A' ' 88' ' ' GLU . 10.7 m -153.01 -138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.229 -1.544 . . . . 0.0 112.603 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -34.58 -41.19 0.12 Allowed 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.842 -0.536 . . . . 0.0 111.537 -178.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.507 ' OE2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -48.06 -72.37 0.05 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.742 -1.224 . . . . 0.0 108.574 179.179 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.633 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 11.6 mmt180 -62.98 -53.47 53.41 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.8 OUTLIER -35.73 -50.07 0.62 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -60.83 -53.0 62.64 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.624 ' CG1' ' CZ ' ' A' ' 79' ' ' PHE . 16.6 t -38.6 -61.07 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.695 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.7 ttpp -58.09 -51.52 69.38 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.591 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 7.9 t0 -43.33 -23.2 0.05 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.772 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.8 OUTLIER -88.65 -44.35 10.67 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.105 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.633 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.0 mt -39.94 -62.03 0.78 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.271 0.557 . . . . 0.0 109.892 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.695 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.14 -2.01 11.77 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.628 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.28 -36.89 12.96 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.684 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -91.0 -29.25 17.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.642 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 tp -43.11 -45.88 13.42 Favored Pre-proline 0 C--N 1.305 -1.365 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.3 Cg_exo -55.37 -34.43 88.86 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 O-C-N 124.359 1.716 . . . . 0.0 110.682 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -54.22 -42.55 69.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.758 -0.589 . . . . 0.0 112.18 -178.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.715 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.413 0 O-C-N 120.809 -1.182 . . . . 0.0 110.311 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.535 ' CG1' ' HE2' ' A' ' 27' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 121.944 0.878 . . . . 0.0 109.9 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 95' ' ' LEU . 8.4 tp -99.0 -50.27 4.23 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.495 -177.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.44 168.21 27.58 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 119.653 -1.905 . . . . 0.0 110.93 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.624 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -134.33 136.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.88 96.81 4.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 CA-C-O 122.275 1.036 . . . . 0.0 109.481 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.24 -18.93 18.37 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.459 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.3 tptm -114.71 115.3 26.85 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 119.849 -0.741 . . . . 0.0 110.233 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.723 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 19.2 t -150.26 146.86 16.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 118.223 -1.391 . . . . 0.0 109.548 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.75 131.16 53.92 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.625 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 1.8 pt20 -136.19 132.69 36.26 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.5 mttp -36.35 -24.1 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.917 -0.489 . . . . 0.0 111.244 -173.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.6 ptpt -79.67 -53.51 6.76 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.451 -1.406 . . . . 0.0 109.724 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.538 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.55 168.56 24.54 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.595 0.712 . . . . 0.0 110.738 -174.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 m-20 -106.18 130.33 54.08 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 100.507 -3.886 . . . . 0.0 100.507 175.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.585 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.23 36.2 Favored Glycine 0 C--N 1.296 -1.671 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 133.39 34.28 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 123.101 1.429 . . . . 0.0 110.634 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.723 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.1 mt -108.12 132.09 53.95 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.726 -175.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.6 m-85 -111.7 136.74 50.53 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' CD2' HD22 ' A' ' 96' ' ' LEU . 16.7 tp -122.78 139.68 53.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.784 -1.823 . . . . 0.0 108.666 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.665 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 4.2 ttm -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.522 ' HA ' HD21 ' A' ' 99' ' ' LEU . . . -37.68 -58.53 0.88 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.594 -0.691 . . . . 0.0 111.492 -177.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 9.7 tt0 -86.79 -7.01 58.64 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -173.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.665 ' HD2' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -160.92 165.61 29.74 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 119.159 -2.213 . . . . 0.0 112.464 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.516 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.2 mm -112.02 134.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.584 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.42 149.5 42.27 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.998 -1.064 . . . . 0.0 111.242 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.738 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 18.1 t90 -126.5 143.25 51.26 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.17 0.985 . . . . 0.0 111.147 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.81 108.13 2.88 Favored Pre-proline 0 C--N 1.294 -1.807 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.018 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.481 ' HD3' HG23 ' A' ' 42' ' ' THR . 1.5 Cg_endo . . . . . 0 C--N 1.305 -1.727 0 O-C-N 123.899 1.473 . . . . 0.0 109.613 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.616 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.821 0.343 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -150.81 160.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.537 -1.265 . . . . 0.0 112.338 -178.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 t -167.27 101.66 0.52 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.176 177.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.597 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.08 119.59 39.77 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.07 -1.019 . . . . 0.0 108.795 179.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.54 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -69.65 118.69 12.83 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.583 0.706 . . . . 0.0 110.402 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 6.7 m-30 -41.12 -45.34 2.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.072 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.06 -34.43 75.15 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 119.889 -1.757 . . . . 0.0 108.431 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.539 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.1 m-20 -67.95 -3.91 11.43 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.714 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 67' ' ' LEU . 31.4 pt -138.13 134.78 44.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' VAL . 12.2 tptp -136.38 102.84 5.09 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 116.24 -2.184 . . . . 0.0 112.374 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.17 136.47 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.059 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.547 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 19.4 mp0 -143.23 121.02 11.91 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 117.032 -1.867 . . . . 0.0 111.518 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.501 0 CA-C-N 114.272 -1.331 . . . . 0.0 107.968 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.773 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.19 -2.043 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.254 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.773 ' CD1' ' O ' ' A' ' 62' ' ' LYS 0.293 0.0 OUTLIER 93.26 80.16 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-O 123.917 1.818 . . . . 0.0 113.441 177.936 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.39 137.05 54.0 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.935 -1.103 . . . . 0.0 109.274 179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.574 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -132.18 163.44 28.54 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 120.701 -1.249 . . . . 0.0 110.574 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 1.2 mt-30 -147.15 138.85 24.2 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.885 0.85 . . . . 0.0 110.437 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -141.57 149.09 40.31 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.1 t -124.67 157.32 32.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 117.949 -1.5 . . . . 0.0 110.107 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.776 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.91 144.1 26.22 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.8 -176.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.9 p80 -45.43 -31.99 1.94 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.24 -154.45 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.039 -1.437 . . . . 0.0 107.714 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.7 52.78 0.62 Allowed Glycine 0 C--N 1.296 -1.645 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.598 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 50.5 m-20 -129.71 133.28 46.96 Favored 'General case' 0 C--N 1.286 -2.178 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.605 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.484 HG23 ' CG2' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.07 162.89 13.45 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.517 HG22 ' CE1' ' A' ' 45' ' ' HIS . 43.0 m -137.98 104.38 5.23 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.8 m-20 -109.28 145.33 36.13 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.96 -1.087 . . . . 0.0 108.174 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.707 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -149.19 147.7 28.74 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.153 -1.419 . . . . 0.0 111.221 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.642 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 63.4 t-80 -138.45 163.22 32.49 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 122.137 0.97 . . . . 0.0 110.315 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.642 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 85' ' ' ALA . 16.9 m -152.87 -136.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.429 -0.794 . . . . 0.0 111.057 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.8 mttp -34.79 -49.49 0.43 Allowed 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.63 -0.669 . . . . 0.0 112.131 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 1.2 pm0 -48.27 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.478 -1.389 . . . . 0.0 110.122 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.638 ' CB ' HG13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -61.22 -46.56 89.94 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 122.283 1.04 . . . . 0.0 108.254 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 13.6 t0 -55.79 -12.47 1.32 Allowed 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 87' ' ' LYS . . . -95.03 -37.23 11.21 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 120.999 -1.063 . . . . 0.0 109.666 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.586 HG23 ' CE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -70.67 -41.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.694 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -68.45 -43.98 75.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.813 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.604 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 8.4 t70 -58.05 -20.63 40.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.537 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.7 mm? -92.76 -44.38 8.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.051 -1.03 . . . . 0.0 108.687 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.3 mt -37.16 -68.64 0.14 Allowed 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.416 -0.803 . . . . 0.0 110.643 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.705 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -57.76 -0.65 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.463 -0.773 . . . . 0.0 112.005 179.446 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.53 -37.6 11.83 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.583 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -82.47 -29.82 30.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.103 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.599 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.89 -40.28 4.76 Favored Pre-proline 0 C--N 1.303 -1.456 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.27 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 100' ' ' LEU . 36.8 Cg_exo -69.93 2.16 3.88 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 O-C-N 124.621 1.853 . . . . 0.0 112.314 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -43.87 8.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.905 -1.122 . . . . 0.0 112.177 -177.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.659 0 O-C-N 121.189 -0.944 . . . . 0.0 110.284 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 122.215 1.007 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -98.51 -45.61 6.05 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.59 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -159.66 142.85 14.18 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.413 -2.055 . . . . 0.0 110.284 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.34 139.16 36.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.071 -1.018 . . . . 0.0 109.68 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.561 HG21 ' CG2' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -111.12 106.93 21.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.594 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.45 -19.11 13.63 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.401 1.096 . . . . 0.0 109.938 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -116.45 123.3 47.16 Favored 'General case' 0 C--N 1.279 -2.478 0 C-N-CA 119.636 -0.825 . . . . 0.0 109.977 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.688 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 2.5 t -151.27 148.91 14.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.153 -1.019 . . . . 0.0 108.559 174.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.7 ttm180 -120.9 146.22 46.84 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 2.8 pt20 -150.03 130.71 14.05 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -37.02 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.703 -0.623 . . . . 0.0 111.296 -174.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptpt -78.33 -53.87 6.82 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.573 -1.329 . . . . 0.0 110.247 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.577 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.84 168.3 25.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.586 -0.696 . . . . 0.0 110.002 -175.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.502 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 8.8 m-20 -106.16 127.66 53.36 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 101.257 -3.608 . . . . 0.0 101.257 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.53 165.63 35.65 Favored Glycine 0 C--N 1.3 -1.431 0 C-N-CA 119.331 -1.414 . . . . 0.0 112.177 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 13' ' ' LYS . . . -84.06 128.58 34.65 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 123.417 1.58 . . . . 0.0 111.893 -175.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.688 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.1 mt -107.26 138.77 42.83 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 113.154 -1.839 . . . . 0.0 108.547 -175.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.611 ' CE2' HG13 ' A' ' 11' ' ' ILE . 5.3 m-85 -118.22 138.24 52.47 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.692 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 10.4 tt -114.38 131.56 56.53 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.53 ' HE2' ' CD ' ' A' ' 30' ' ' ARG . 1.4 ttp -121.46 151.59 40.07 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.89 -47.88 0.72 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 122.048 -0.407 . . . . 0.0 110.912 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -109.71 -1.45 18.01 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 120.497 -1.377 . . . . 0.0 112.453 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.579 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -157.71 165.08 36.36 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 119.024 -2.298 . . . . 0.0 113.621 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.518 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.3 mm -108.39 141.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' HA ' HG23 ' A' ' 43' ' ' ILE . . . -130.66 154.03 48.33 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.946 -1.096 . . . . 0.0 111.319 -178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.765 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 14.2 t90 -123.08 139.19 54.32 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.94 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.06 155.78 33.64 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.642 -0.662 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.318 -1.071 0 O-C-N 123.775 1.408 . . . . 0.0 109.575 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.636 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -153.62 155.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.356 179.149 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.3 m -162.41 103.54 1.09 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.614 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.593 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.59 113.6 26.51 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.161 -0.962 . . . . 0.0 108.942 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.579 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -66.75 108.34 2.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 110.258 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.693 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 2.7 m-30 -31.48 -45.0 0.08 Allowed 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.417 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -69.09 -43.78 73.81 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 120.18 -1.575 . . . . 0.0 109.651 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' MET . 78.6 m-20 -67.49 -5.6 15.77 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.326 0.584 . . . . 0.0 109.456 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.559 ' CG1' HD23 ' A' ' 67' ' ' LEU . 13.6 pt -127.61 132.91 68.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 tptp -147.14 103.75 3.62 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 119.359 -2.088 . . . . 0.0 112.13 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER 173.13 120.77 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 176.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.548 ' NE2' ' CD2' ' A' ' 100' ' ' LEU . 9.7 mp0 -142.33 120.97 12.57 Favored 'General case' 0 C--N 1.279 -2.463 0 C-N-CA 117.139 -1.824 . . . . 0.0 111.708 -175.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.303 -1.427 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.849 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.668 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.867 0 CA-C-O 122.335 1.064 . . . . 0.0 109.435 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.609 HG12 ' CD1' ' A' ' 79' ' ' PHE . 0.3 OUTLIER -164.36 83.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.285 -2.231 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -176.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -111.08 127.03 55.42 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -113.0 165.57 12.23 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.548 -1.345 . . . . 0.0 111.527 -178.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -131.37 129.82 41.85 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.722 0.772 . . . . 0.0 110.426 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 4.8 tt -135.11 137.44 42.82 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.635 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 1.8 t -116.19 158.55 16.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-O 122.937 1.351 . . . . 0.0 109.812 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.736 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -91.9 148.34 22.29 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.882 -176.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 8.6 m-70 -44.29 -31.56 1.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -80.15 -143.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.84 53.77 0.63 Allowed Glycine 0 C--N 1.3 -1.443 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.552 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.9 m-20 -127.97 135.9 50.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.831 -0.805 . . . . 0.0 109.045 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.69 151.45 26.16 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.869 0.842 . . . . 0.0 110.046 -178.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.571 HG21 ' CE1' ' A' ' 45' ' ' HIS . 11.7 m -122.7 110.91 16.09 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.95 131.96 54.59 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.75 -1.219 . . . . 0.0 109.176 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.744 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -138.26 160.84 38.43 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.922 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.698 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 57.7 t-80 -143.34 169.69 17.19 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.856 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 65.5 m-85 . . . . . 0 C--N 1.297 -1.676 0 O-C-N 121.246 -0.909 . . . . 0.0 108.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 87' ' ' LYS . 33.0 m -134.33 -125.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 O-C-N 119.661 -1.9 . . . . 0.0 112.34 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 86' ' ' VAL . 4.9 mttm -33.98 -48.29 0.3 Allowed 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.384 -0.822 . . . . 0.0 110.725 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -46.68 -68.03 0.23 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 122.588 1.185 . . . . 0.0 109.428 178.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.578 ' HB3' ' CG ' ' A' ' 79' ' ' PHE . 2.1 mmt180 -59.47 -58.76 7.18 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -36.92 -37.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.764 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 92' ' ' VAL . . . -67.7 -54.34 20.26 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ARG . 7.1 t -41.39 -52.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 C-N-CA 119.708 -0.797 . . . . 0.0 108.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.646 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -53.38 -56.96 12.48 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.625 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 22.9 t70 -37.88 -62.87 0.51 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.7 OUTLIER -44.88 -52.93 8.12 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.591 ' HA ' HD11 ' A' ' 99' ' ' LEU . 9.4 mt -39.86 -65.4 0.4 Allowed 'General case' 0 C--N 1.315 -0.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.491 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.646 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.61 -3.35 14.6 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.033 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -86.59 -31.59 21.09 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -91.85 -25.53 18.92 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.719 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 14.1 mt -43.46 -31.09 0.52 Allowed Pre-proline 0 C--N 1.304 -1.371 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 51.0 Cg_exo -70.37 -35.75 10.32 Favored 'Trans proline' 0 C--N 1.301 -1.968 0 O-C-N 124.439 1.757 . . . . 0.0 111.766 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' LEU . 16.8 mttt -56.41 -33.86 66.19 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.961 -1.087 . . . . 0.0 111.844 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.719 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.723 0 C-N-CA 118.528 -1.269 . . . . 0.0 110.223 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG11 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.659 0.742 . . . . 0.0 109.174 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 57.2 tp -98.88 -42.6 7.08 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.586 -0.846 . . . . 0.0 112.495 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.1 tt -170.61 160.29 7.11 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 119.383 -2.073 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.66 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.19 143.01 30.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.804 0.811 . . . . 0.0 109.943 179.278 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.578 HG12 ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -125.65 126.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 1.004 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -70.11 -82.63 0.04 OUTLIER 'General case' 0 C--O 1.188 -2.177 0 C-N-CA 117.267 -1.773 . . . . 0.0 109.352 -178.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG21 ' A' ' 15' ' ' VAL . 38.9 tptt -49.18 124.42 8.95 Favored 'General case' 0 C--N 1.273 -2.755 0 O-C-N 119.674 -1.891 . . . . 0.0 112.278 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.706 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 38.8 t -150.8 150.78 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.127 172.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 4.9 tpp180 -126.4 125.36 42.06 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.884 0.85 . . . . 0.0 109.863 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.623 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.6 pt20 -129.42 133.84 47.54 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.21 -23.33 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.872 -0.517 . . . . 0.0 111.344 -173.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.637 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -77.28 -55.7 5.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.504 -1.372 . . . . 0.0 109.796 177.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.4 tp-100 -151.64 168.61 24.44 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.345 -172.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.629 ' N ' ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -105.29 130.31 53.44 Favored 'General case' 0 C--N 1.295 -1.778 1 N-CA-C 99.176 -4.379 . . . . 0.0 99.176 175.769 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.591 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.96 166.21 36.16 Favored Glycine 0 C--N 1.293 -1.828 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 1.004 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.29 139.12 31.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 122.983 1.373 . . . . 0.0 111.777 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.706 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.6 mt -108.91 130.92 55.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.82 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.66 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.3 m-85 -112.58 139.54 48.08 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -123.57 138.96 54.45 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 119.832 -1.792 . . . . 0.0 108.592 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -128.99 149.23 50.91 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.054 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -40.98 -58.49 1.71 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.326 -0.859 . . . . 0.0 110.047 -178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tp10 -87.12 -6.21 58.74 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 113.11 -175.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.577 ' CZ ' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -158.65 164.36 36.05 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 119.166 -2.209 . . . . 0.0 112.905 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -110.74 131.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -118.83 150.99 38.9 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 121.075 -1.016 . . . . 0.0 110.999 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.723 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 22.6 t90 -129.94 142.33 50.66 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.842 0.829 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.44 114.29 3.05 Favored Pre-proline 0 C--N 1.294 -1.814 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.562 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 O-C-N 123.95 1.5 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.618 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.762 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.723 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.32 158.9 4.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.832 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -168.1 101.86 0.45 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.094 177.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.607 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.88 121.97 46.46 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.017 -1.052 . . . . 0.0 109.906 179.697 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.42 110.34 3.07 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.298 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.725 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -34.14 -37.83 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 112.003 -177.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 120.064 -1.647 . . . . 0.0 107.811 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' MET . 9.0 m-20 -59.65 -5.98 1.03 Allowed 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.183 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.602 ' CD1' ' CB ' ' A' ' 45' ' ' HIS . 0.5 OUTLIER -124.6 112.9 33.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.661 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 1.2 tmtt? -130.05 103.1 6.56 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 116.349 -2.14 . . . . 0.0 112.613 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.42 133.38 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.699 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.533 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 4.2 mp0 -143.67 128.01 17.81 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 117.062 -1.855 . . . . 0.0 112.185 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.301 -1.541 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.695 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.193 -1.883 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.194 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.695 ' CG1' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER 87.07 80.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 120.935 1.698 . . . . 0.0 112.931 178.197 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -133.41 133.27 42.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.49 179.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -119.93 166.85 12.78 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.833 -1.167 . . . . 0.0 110.519 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -145.72 126.4 14.28 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.465 -0.772 . . . . 0.0 109.657 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -136.58 150.28 48.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.3 t -120.78 158.0 23.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 C-N-CA 118.169 -1.412 . . . . 0.0 111.374 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -85.29 144.83 27.85 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 114.324 -1.307 . . . . 0.0 108.018 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.3 p80 -48.95 -36.1 16.63 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.55 -152.77 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.574 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.87 54.51 0.55 Allowed Glycine 0 C--N 1.299 -1.474 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.554 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 26.0 m-20 -129.41 139.23 51.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.881 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.416 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.43 157.85 18.05 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -127.66 105.89 8.78 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m120 -111.77 139.8 46.95 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.668 -1.27 . . . . 0.0 108.439 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.684 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -150.23 142.47 24.17 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.698 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' A' ' 79' ' ' PHE . 6.8 t-80 -141.31 163.48 32.84 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 122.16 0.981 . . . . 0.0 111.971 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.657 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.398 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.746 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -151.71 -153.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 120.55 -1.343 . . . . 0.0 111.877 -178.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -37.82 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.394 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -47.85 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.601 -1.312 . . . . 0.0 109.286 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.657 ' HB3' ' CG ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.516 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -54.63 -13.35 0.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.574 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.39 -32.32 12.42 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 12' ' ' VAL . 2.4 t -58.93 -52.46 60.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.713 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.1 tttm -56.76 -50.3 72.67 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.525 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 17.3 t70 -47.65 -22.19 0.47 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 121.181 0.515 . . . . 0.0 109.727 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.578 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 6.2 mp -88.83 -49.7 6.66 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.65 ' CD1' ' HG ' ' A' ' 65' ' ' LEU . 21.8 mt -37.27 -68.37 0.15 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.898 0.856 . . . . 0.0 111.381 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.713 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.14 -0.86 0.83 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.532 -0.73 . . . . 0.0 110.122 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -91.72 -38.93 12.1 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.852 -1.155 . . . . 0.0 108.451 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.595 HD13 ' CA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -84.86 -28.45 26.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.598 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 12.8 mt -47.33 -34.9 5.26 Favored Pre-proline 0 C--N 1.304 -1.399 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.2 Cg_exo -74.49 -0.26 9.51 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 O-C-N 124.401 1.737 . . . . 0.0 111.354 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 6.6 tttt -87.32 -41.96 13.25 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.847 . . . . 0.0 111.422 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.725 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.434 -0.791 . . . . 0.0 109.473 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.522 HG12 ' CE ' ' A' ' 27' ' ' MET . 0.9 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.627 0.727 . . . . 0.0 109.522 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.535 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 12.7 tp -98.59 -41.71 7.61 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.639 -0.824 . . . . 0.0 112.582 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -174.07 159.05 3.2 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 119.241 -2.162 . . . . 0.0 111.385 179.698 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.61 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 141.83 32.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.465 0.65 . . . . 0.0 110.017 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.501 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -124.05 126.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.606 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.984 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 36.9 tttt -63.87 -82.45 0.02 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 117.629 -1.628 . . . . 0.0 109.093 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -49.15 123.82 7.93 Favored 'General case' 0 C--N 1.272 -2.782 0 O-C-N 119.83 -1.794 . . . . 0.0 112.16 -176.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.736 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.09 146.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 10.0 tpp180 -122.56 134.61 54.53 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.8 pt20 -139.67 134.72 32.39 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mtpp -36.17 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.992 -0.442 . . . . 0.0 111.544 -173.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -83.2 -53.28 5.89 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.36 -1.462 . . . . 0.0 110.081 177.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.548 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.55 168.67 24.2 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.478 0.656 . . . . 0.0 111.006 -174.227 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.79 131.34 53.24 Favored 'General case' 0 C--N 1.298 -1.646 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 175.536 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.618 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.1 166.46 36.35 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.984 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.24 136.95 33.29 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 122.878 1.323 . . . . 0.0 110.915 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.736 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -108.69 133.82 52.26 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.749 -175.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.8 m-85 -113.95 138.76 49.9 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' CD2' HG11 ' A' ' 92' ' ' VAL . 1.4 mp -117.08 135.89 53.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.126 -1.609 . . . . 0.0 108.29 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.522 ' CE ' HG12 ' A' ' 8' ' ' VAL . 9.8 ttm -126.02 143.49 51.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 99' ' ' LEU . . . -43.38 -57.61 2.96 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.276 -0.89 . . . . 0.0 109.176 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.528 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.9 tt0 -85.42 -6.2 59.23 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.688 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -164.0 165.04 22.91 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 119.393 -2.067 . . . . 0.0 111.72 179.131 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.59 HG13 ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -109.02 135.45 47.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -121.38 146.82 46.48 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.121 -0.987 . . . . 0.0 111.278 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.659 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 21.8 t90 -126.59 143.3 51.26 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.998 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.06 120.75 3.6 Favored Pre-proline 0 C--N 1.297 -1.702 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.019 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 C--N 1.307 -1.644 0 O-C-N 123.904 1.476 . . . . 0.0 110.25 179.822 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.614 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.649 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -151.7 159.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 C-N-CA 119.036 -1.066 . . . . 0.0 111.793 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.1 t -167.79 102.39 0.48 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.604 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.86 121.5 45.38 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 120.933 -1.104 . . . . 0.0 109.311 179.03 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.76 118.07 12.16 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.794 179.392 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 5.0 m-30 -40.65 -45.44 2.36 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.632 -0.667 . . . . 0.0 110.475 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.26 -33.95 74.03 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 120.001 -1.687 . . . . 0.0 108.253 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.558 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.7 m-20 -67.57 -4.1 10.73 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.525 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 39.4 pt -138.67 136.26 43.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.558 -0.714 . . . . 0.0 109.084 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 2.8 tmtt? -141.25 103.37 4.42 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 116.319 -2.152 . . . . 0.0 112.846 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.656 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 8.7 t 172.55 133.33 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.524 ' CB ' HD22 ' A' ' 100' ' ' LEU . 11.3 mp0 -144.0 127.63 17.09 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 117.234 -1.787 . . . . 0.0 111.754 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.302 -1.483 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.836 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.192 -1.951 0 CA-C-O 117.78 -1.105 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.836 ' CG2' ' O ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER 85.55 81.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 122.688 1.233 . . . . 0.0 114.251 179.123 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 131.24 52.03 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.531 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.99 167.29 16.1 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 120.845 -1.159 . . . . 0.0 109.626 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 121.108 -0.995 . . . . 0.0 111.008 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 0.7 OUTLIER -135.31 152.41 51.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.656 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 3.3 t -128.23 158.18 40.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 C-N-CA 117.923 -1.511 . . . . 0.0 110.865 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.757 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.53 142.69 27.48 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.993 -177.19 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.2 p80 -46.14 -31.39 2.37 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.48 -154.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.53 51.63 0.69 Allowed Glycine 0 C--N 1.297 -1.621 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 42.1 m-20 -129.33 132.04 47.03 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.525 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.66 161.84 14.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.058 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.1 m -134.65 104.68 6.15 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.5 m-20 -109.6 146.37 34.84 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.859 -1.151 . . . . 0.0 108.21 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.659 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -147.65 147.93 30.52 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.208 -1.397 . . . . 0.0 110.625 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -141.21 165.54 27.25 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 122.165 0.984 . . . . 0.0 110.356 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.793 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 54.0 m-85 . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 63' ' ' ILE . . . . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 93.8 t -131.11 -95.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 119.368 -2.082 . . . . 0.0 110.541 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 90' ' ' ASP . 6.0 mtmt -35.56 -70.31 0.09 Allowed 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.357 -0.839 . . . . 0.0 111.861 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -35.91 -65.91 0.23 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.981 0.895 . . . . 0.0 109.806 -178.058 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.662 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.8 mmt180 -56.83 -39.62 74.56 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 87' ' ' LYS . 2.5 t0 -54.61 -16.21 2.29 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -94.22 -36.83 11.84 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.53 HG11 ' CD2' ' A' ' 26' ' ' LEU . 7.0 t -57.77 -55.21 22.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.5 tttm -55.15 -53.01 61.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.569 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 t0 -39.91 -26.69 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.3 mt -84.57 -47.81 10.18 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 3.0 mt -37.69 -61.01 0.66 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.571 0.7 . . . . 0.0 110.368 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.22 -2.19 9.87 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.913 -178.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.579 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.76 -31.26 12.74 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.32 -0.863 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.611 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -93.06 -31.97 14.65 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.887 -1.133 . . . . 0.0 109.019 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 5.8 mp -47.07 -38.1 12.1 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.7 Cg_exo -68.7 -3.33 11.01 Favored 'Trans proline' 0 C--N 1.301 -1.924 0 O-C-N 124.443 1.759 . . . . 0.0 111.487 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.6 tttt -87.34 -42.88 12.55 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.205 -0.934 . . . . 0.0 111.774 -178.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.611 0 O-C-N 121.409 -0.807 . . . . 0.0 110.249 -176.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.528 HG13 ' CE ' ' A' ' 27' ' ' MET . 1.2 m . . . . . 0 C--O 1.215 -0.749 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 18.2 tp -99.08 -40.83 7.82 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.318 -0.953 . . . . 0.0 113.182 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 95' ' ' LEU . 10.3 tp -167.05 163.86 15.85 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 119.095 -2.253 . . . . 0.0 111.757 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.607 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.25 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG22 ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -126.26 101.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 CA-C-O 122.323 1.059 . . . . 0.0 110.804 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -51.71 -18.32 1.18 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.057 179.245 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 4.0 tptt -115.17 114.79 25.74 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.677 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 25.1 t -150.64 147.61 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 C-N-CA 118.003 -1.479 . . . . 0.0 110.227 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 11.6 tpp180 -125.35 128.98 49.02 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.598 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -134.55 138.44 44.62 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.39 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.005 -0.434 . . . . 0.0 111.447 -174.224 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.635 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -81.13 -56.83 3.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.376 -1.453 . . . . 0.0 109.705 177.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.2 mm-40 -151.66 169.01 23.21 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.845 0.831 . . . . 0.0 111.218 -173.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.51 133.05 50.9 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 100.366 -3.939 . . . . 0.0 100.366 176.492 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.19 36.18 Favored Glycine 0 C--N 1.294 -1.768 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.79 137.38 33.22 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 122.804 1.288 . . . . 0.0 109.104 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.677 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -108.32 134.66 50.83 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.377 -175.018 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 7.1 m-85 -110.99 137.53 48.5 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 7.1 tt -119.22 136.38 54.24 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 119.92 -1.738 . . . . 0.0 107.305 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.536 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 7.8 ttt -129.85 142.89 50.6 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -42.14 -56.79 2.74 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.115 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.3 tp10 -86.07 -8.86 57.6 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.919 -175.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -160.62 162.95 32.93 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.33 -2.106 . . . . 0.0 111.882 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.614 HG13 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -109.72 128.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -113.53 155.68 24.94 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.344 -0.848 . . . . 0.0 110.512 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.723 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 25.9 t90 -138.16 140.81 40.01 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.813 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.62 135.83 10.12 Favored Pre-proline 0 C--N 1.294 -1.836 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.821 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.314 -1.285 0 O-C-N 123.888 1.467 . . . . 0.0 108.522 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.708 ' N ' ' O ' ' A' ' 33' ' ' TRP . 1.3 t . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -142.69 171.72 9.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 O-C-N 120.93 -1.107 . . . . 0.0 109.836 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.53 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -162.03 115.22 1.8 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.589 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 120.889 -1.132 . . . . 0.0 110.266 -178.75 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.07 108.82 3.71 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.72 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -39.15 -41.75 0.87 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.743 -0.598 . . . . 0.0 110.846 -178.395 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . . . -66.18 -46.23 78.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.159 -1.588 . . . . 0.0 108.229 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' MET . 3.0 m-20 -47.29 -31.39 3.79 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 2.9 pp -109.55 153.32 11.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.386 -177.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 9.1 tptt -144.57 102.99 3.89 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 117.489 -1.684 . . . . 0.0 110.907 177.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.622 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.19 128.72 0.02 OUTLIER 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' A' ' 100' ' ' LEU . 10.6 mm-40 -144.09 125.27 14.57 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 117.755 -1.578 . . . . 0.0 110.84 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.699 ' HG2' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.901 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.614 ' CG1' ' CD1' ' A' ' 79' ' ' PHE 0.326 0.0 OUTLIER 75.31 83.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 123.859 1.79 . . . . 0.0 113.041 178.971 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.429 ' HB3' ' HD2' ' A' ' 78' ' ' HIS . 0.2 OUTLIER -124.01 134.65 53.4 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.887 -1.96 . . . . 0.0 108.232 178.57 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.58 163.56 23.14 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.542 -1.349 . . . . 0.0 110.06 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -146.09 131.61 18.76 Favored 'General case' 0 C--N 1.314 -0.94 0 O-C-N 121.301 -0.875 . . . . 0.0 111.218 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -136.27 150.21 48.83 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -178.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.622 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.0 t -128.3 157.82 40.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 123.268 1.508 . . . . 0.0 111.405 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.79 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -90.07 146.66 24.16 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.558 -176.561 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 80.7 m-70 -45.6 -32.5 2.36 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.33 -154.28 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.373 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.81 51.79 0.68 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.556 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.1 t0 -128.79 128.67 44.42 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 6.6 m -108.5 163.28 13.36 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 9.7 m -128.14 112.5 14.62 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -109.45 136.09 49.42 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.723 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -145.72 143.96 30.07 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.704 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 60.8 t-80 -141.4 164.06 31.25 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.144 0.973 . . . . 0.0 110.89 -177.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.704 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 22.5 m-85 . . . . . 0 C--N 1.289 -2.054 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 62' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.755 0 CA-C-O 122.811 1.291 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.513 ' CG2' ' OE2' ' A' ' 88' ' ' GLU . 13.1 m -150.98 -143.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -40.48 -56.23 2.1 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 121.447 -0.783 . . . . 0.0 110.873 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' OE2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -38.95 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.236 1.017 . . . . 0.0 110.443 -179.477 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.6 ' HD2' ' CD2' ' A' ' 79' ' ' PHE . 6.6 mmt180 -56.65 -42.27 78.65 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 4.0 t70 -54.86 -13.05 0.93 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -95.55 -37.94 10.65 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.498 ' CG2' ' CG1' ' A' ' 12' ' ' VAL . 13.4 t -58.19 -50.97 76.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 ttpp -56.86 -50.87 71.16 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 91' ' ' ALA . 35.7 t70 -41.08 -29.18 0.11 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 91' ' ' ALA . 1.2 mt -85.06 -43.72 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 20.7 mt -38.67 -66.13 0.3 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.223 1.011 . . . . 0.0 110.186 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.62 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.79 -2.08 0.5 Allowed 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.514 -0.741 . . . . 0.0 110.671 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -103.3 -23.79 13.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.955 -1.091 . . . . 0.0 110.167 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.647 ' CD1' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -92.6 -34.98 13.8 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 120.85 -1.156 . . . . 0.0 109.437 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.594 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -48.87 -36.26 12.61 Favored Pre-proline 0 C--N 1.305 -1.334 0 C-N-CA 118.559 -1.257 . . . . 0.0 108.385 -178.06 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -70.58 -11.04 29.13 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.287 1.677 . . . . 0.0 111.424 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.49 -47.64 19.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 111.164 -178.543 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.72 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 O-C-N 121.568 -0.708 . . . . 0.0 110.408 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.215 -0.757 0 CA-C-O 121.536 0.684 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 33.5 tp -98.46 -28.92 13.4 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 112.813 -176.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' LEU . 29.5 tp -177.48 145.13 0.42 Allowed 'General case' 0 C--O 1.208 -1.113 0 O-C-N 119.283 -2.136 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.634 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.1 141.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.38 -0.825 . . . . 0.0 109.675 179.568 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.589 HG21 ' CG2' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -116.67 103.92 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 121.911 0.862 . . . . 0.0 108.949 178.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.54 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.73 -18.79 9.05 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.242 1.02 . . . . 0.0 110.241 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' HD3' ' A' ' 13' ' ' LYS . 1.4 tptp -113.61 118.65 34.99 Favored 'General case' 0 C--N 1.278 -2.513 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.063 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.699 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 4.9 t -151.07 148.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.361 174.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.1 ttm180 -122.86 146.11 47.85 Favored 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.598 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.4 pt20 -148.25 133.87 18.8 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.72 -23.64 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.196 0 O-C-N 121.766 -0.584 . . . . 0.0 111.116 -174.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -79.54 -55.36 5.1 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.561 -1.337 . . . . 0.0 110.181 178.102 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.593 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 45.7 mm-40 -151.75 168.7 24.21 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.527 0.68 . . . . 0.0 110.196 -175.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.578 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -105.97 128.42 53.8 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 101.924 -3.362 . . . . 0.0 101.924 176.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.67 165.77 35.79 Favored Glycine 0 C--N 1.299 -1.492 0 C-N-CA 119.902 -1.142 . . . . 0.0 111.355 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.27 131.9 34.68 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 123.287 1.517 . . . . 0.0 111.138 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.699 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -107.57 135.46 48.99 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.367 -1.742 . . . . 0.0 108.499 -175.691 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.634 ' CE2' HG13 ' A' ' 11' ' ' ILE . 3.6 m-85 -115.75 136.35 53.14 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -112.91 132.03 55.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.138 -1.601 . . . . 0.0 106.754 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.532 ' HE1' ' CD ' ' A' ' 30' ' ' ARG . 1.2 ttp -122.73 152.25 40.77 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.71 -55.19 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.03 -0.419 . . . . 0.0 110.906 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' GLU . 2.8 tt0 -104.7 -0.41 27.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.42 -1.425 . . . . 0.0 112.389 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -155.29 162.65 40.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 119.191 -2.193 . . . . 0.0 113.427 -178.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.2 mt -109.65 131.71 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.415 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -115.72 160.72 19.7 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.944 0.878 . . . . 0.0 110.761 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.688 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 21.4 t90 -136.53 145.41 45.03 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.322 1.058 . . . . 0.0 110.942 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.9 104.68 3.02 Favored Pre-proline 0 C--N 1.29 -1.995 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.796 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 33' ' ' TRP . 1.5 Cg_endo . . . . . 0 C--N 1.304 -1.766 0 O-C-N 124.193 1.628 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.627 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 121.015 0.436 . . . . 0.0 109.849 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.638 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 2.7 pt -150.61 177.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 118.905 -1.118 . . . . 0.0 112.454 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -168.83 114.3 0.6 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.638 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.12 120.1 41.5 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.814 -1.179 . . . . 0.0 110.024 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.527 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -65.64 104.43 1.03 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.695 -0.628 . . . . 0.0 109.601 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -29.04 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.194 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -66.82 -46.17 76.02 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.123 -1.61 . . . . 0.0 108.874 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' MET . 76.3 m-20 -62.32 -12.38 20.65 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.606 ' CG2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -111.33 118.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 24.5 tptp -137.9 102.72 4.79 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 116.154 -2.219 . . . . 0.0 112.064 178.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.645 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 171.92 125.63 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.521 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 1.8 mt-30 -142.51 122.65 13.75 Favored 'General case' 0 C--N 1.281 -2.38 0 C-N-CA 116.947 -1.901 . . . . 0.0 111.575 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tttt . . . . . 0 C--N 1.303 -1.443 0 CA-C-N 113.395 -1.729 . . . . 0.0 108.094 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.641 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.819 0 CA-C-O 122.356 1.074 . . . . 0.0 109.675 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.632 HG12 ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -158.28 84.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.346 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -175.687 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -109.12 131.25 55.25 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.583 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.08 165.98 14.55 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.802 -1.186 . . . . 0.0 111.313 -178.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -133.7 130.44 38.16 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.784 0.802 . . . . 0.0 110.529 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -134.46 130.37 36.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.645 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.0 t -109.95 158.37 10.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 122.955 1.359 . . . . 0.0 110.334 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -88.33 147.79 24.6 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.625 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 9.5 m-70 -46.9 -31.43 3.11 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -77.89 -149.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.095 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 52.94 0.6 Allowed Glycine 0 C--N 1.302 -1.354 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 69' ' ' LEU . 1.9 m-20 -127.98 141.06 51.63 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.235 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.02 155.07 21.33 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.829 0.824 . . . . 0.0 109.546 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -130.71 104.41 7.17 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -110.91 139.44 46.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.788 -1.195 . . . . 0.0 109.512 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.688 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -141.79 153.73 44.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.625 1.203 . . . . 0.0 111.013 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.697 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -135.28 168.96 18.21 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.678 -1.147 . . . . 0.0 109.104 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.697 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 91.4 m-85 . . . . . 0 C--N 1.296 -1.751 0 O-C-N 121.331 -0.856 . . . . 0.0 109.613 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 87' ' ' LYS . 29.0 m -142.34 -123.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 119.279 -2.138 . . . . 0.0 112.62 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 tttt -34.21 -51.88 0.45 Allowed 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.494 -0.753 . . . . 0.0 110.722 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -41.68 -61.06 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.016 0.913 . . . . 0.0 109.767 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.624 ' HD3' ' CD2' ' A' ' 79' ' ' PHE . 1.9 mmp_? -64.52 -48.51 74.85 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.539 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 9.9 t0 -37.96 -45.23 0.86 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -66.97 -48.94 66.96 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.581 ' CG1' ' CZ ' ' A' ' 79' ' ' PHE . 24.4 t -41.18 -58.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.662 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.0 ttpp -63.79 -31.8 73.1 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.586 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.6 t70 -64.04 -13.6 48.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 99' ' ' LEU . 2.5 mm? -99.8 -47.12 5.16 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.588 ' CA ' HD13 ' A' ' 99' ' ' LEU . 12.3 mt -45.26 -66.09 0.45 Allowed 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.704 -0.622 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -62.23 -1.77 0.82 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.941 -1.099 . . . . 0.0 110.807 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.451 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -94.06 -38.66 11.02 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.861 -1.149 . . . . 0.0 109.199 179.635 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.687 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.11 -27.69 32.68 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 121.118 -0.989 . . . . 0.0 108.469 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.675 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 4.3 tp -43.65 -33.84 1.07 Allowed Pre-proline 0 C--N 1.31 -1.15 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 40.7 Cg_exo -76.27 -34.79 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.651 1.869 . . . . 0.0 110.537 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -49.23 -35.05 16.34 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.592 -0.692 . . . . 0.0 110.875 -179.474 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.082 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.34 -18.25 14.93 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.263 -0.898 . . . . 0.0 109.432 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -62.93 1.47 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.269 -0.894 . . . . 0.0 109.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' A' ' 5' ' ' SER . 1.3 t -150.22 -92.75 0.07 Allowed 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.25 -0.906 . . . . 0.0 109.499 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.494 ' N ' ' OG ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -138.5 -178.67 5.4 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.283 -0.886 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 2.4 mp0 -61.74 161.43 10.12 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.179 -0.951 . . . . 0.0 109.426 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.2 110.68 17.31 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.477 -0.764 . . . . 0.0 109.177 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 26' ' ' LEU . 3.4 p -98.92 154.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 120.745 -1.222 . . . . 0.0 109.349 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD23 ' CD2' ' A' ' 26' ' ' LEU . 61.8 tp -99.13 -51.34 3.86 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.424 -0.797 . . . . 0.0 112.504 -177.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 52.6 tp -158.79 160.4 36.24 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 119.58 -1.95 . . . . 0.0 110.626 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.621 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -139.48 139.27 39.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 O-C-N 121.305 -0.872 . . . . 0.0 109.358 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.564 HG22 ' CG2' ' A' ' 15' ' ' VAL . 9.8 m -122.0 102.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.927 0.87 . . . . 0.0 109.498 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.67 -18.56 12.65 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.844 0.83 . . . . 0.0 110.998 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -116.08 117.52 30.33 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.522 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.689 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.81 149.8 13.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.134 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -123.81 131.23 53.55 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.616 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 10.7 pt20 -138.63 136.62 36.12 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLN . 39.3 mttp -36.47 -23.69 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.91 -0.494 . . . . 0.0 111.095 -174.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.631 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -79.54 -57.51 3.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.524 -1.36 . . . . 0.0 109.65 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.631 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -151.92 169.34 22.54 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.689 0.757 . . . . 0.0 111.015 -174.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -105.55 129.76 53.75 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 100.265 -3.976 . . . . 0.0 100.265 176.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.575 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.73 165.99 35.92 Favored Glycine 0 C--N 1.296 -1.688 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.37 138.24 32.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 123.304 1.526 . . . . 0.0 110.561 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.689 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.3 mt -108.03 130.31 55.08 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.231 -1.804 . . . . 0.0 110.141 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.621 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.0 m-85 -112.69 134.69 54.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD2' HD23 ' A' ' 9' ' ' LEU . 6.9 tp -114.74 130.74 56.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.575 -1.953 . . . . 0.0 107.439 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.531 ' SD ' ' CZ ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.72 153.57 31.13 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -38.23 -56.05 1.25 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.75 -0.594 . . . . 0.0 111.293 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tt0 -103.95 8.84 36.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.195 -1.566 . . . . 0.0 112.373 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -157.86 165.2 35.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 119.403 -2.06 . . . . 0.0 112.918 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -111.67 124.38 68.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' HB1' ' CG ' ' A' ' 41' ' ' PHE . . . -109.97 156.95 19.81 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.117 -0.989 . . . . 0.0 111.248 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.725 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t90 -135.79 145.61 46.71 Favored 'General case' 0 C--O 1.199 -1.592 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.343 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.629 ' CB ' ' HA ' ' A' ' 41' ' ' PHE . . . -150.81 162.09 28.11 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.701 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.518 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.3 Cg_endo -113.04 -173.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.918 1.483 . . . . 0.0 108.419 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -48.04 96.64 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.867 -1.145 . . . . 0.0 109.015 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -140.97 -128.43 2.41 Favored Glycine 0 C--O 1.215 -1.081 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.22 -100.08 0.38 Allowed 'General case' 0 C--N 1.308 -1.23 0 O-C-N 121.23 -1.159 . . . . 0.0 109.951 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.88 21.29 3.06 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.885 -1.134 . . . . 0.0 109.878 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -111.55 -159.67 0.69 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.162 -0.961 . . . . 0.0 108.791 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.629 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -140.04 147.13 39.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.595 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.725 ' N ' ' O ' ' A' ' 33' ' ' TRP . 1.5 t -65.33 -33.12 75.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.897 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.637 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -147.51 177.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 O-C-N 121.189 -0.944 . . . . 0.0 111.258 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -166.68 119.9 1.03 Allowed 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.637 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.3 118.64 37.23 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 120.885 -1.135 . . . . 0.0 109.043 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.543 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -67.52 118.68 11.16 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.766 0.793 . . . . 0.0 110.259 -179.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.696 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 8.0 m-30 -40.61 -46.44 2.55 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.86 -0.525 . . . . 0.0 110.207 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -32.31 71.37 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.177 -1.577 . . . . 0.0 108.585 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 1.3 m-20 -68.94 -4.31 16.14 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.448 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.539 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 36.4 pt -138.87 142.35 34.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.513 -0.742 . . . . 0.0 109.23 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.551 ' CE ' ' HE2' ' A' ' 104' ' ' LYS . 21.6 tptp -144.67 103.56 3.94 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 119.413 -2.054 . . . . 0.0 112.961 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.637 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 10.5 t 172.61 132.01 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' NE2' HD11 ' A' ' 100' ' ' LEU . 37.4 mt-30 -144.0 125.17 14.54 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 117.359 -1.736 . . . . 0.0 111.439 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.68 127.78 45.69 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.6 mm -108.8 103.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.925 -1.11 . . . . 0.0 108.218 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.675 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -115.95 23.51 0.09 OUTLIER Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.736 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 4.7 Cg_endo -119.61 63.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.318 -1.066 0 C-N-CA 114.235 -3.377 . . . . 0.0 112.177 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -106.29 -40.65 5.55 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -143.71 49.82 0.7 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 106.152 -2.779 . . . . 0.0 106.152 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 56' ' ' SER . 9.9 mmtt -115.82 -175.41 2.72 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.248 -1.148 . . . . 0.0 113.244 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -30.43 -72.65 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.207 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.685 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -168.59 42.88 0.04 OUTLIER 'General case' 0 C--O 1.196 -1.741 0 C-N-CA 118.501 -1.28 . . . . 0.0 112.05 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.736 ' HA ' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER 89.19 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 123.196 1.474 . . . . 0.0 114.405 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 2.4 pt20 -129.45 129.83 45.13 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.021 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.1 165.47 12.87 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.883 -1.136 . . . . 0.0 110.069 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.92 132.03 20.43 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.386 -0.822 . . . . 0.0 110.735 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -136.96 151.84 49.47 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.637 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.6 t -125.76 158.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.296 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.779 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.68 143.35 26.82 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.655 -177.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.0 p80 -45.47 -31.67 1.85 Allowed 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -73.38 -153.71 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.44 51.8 0.68 Allowed Glycine 0 C--N 1.298 -1.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.586 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -129.61 132.77 46.85 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.455 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.524 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.41 162.93 13.48 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -133.61 107.1 7.78 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 3.4 m-20 -110.41 138.05 47.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.901 -1.124 . . . . 0.0 108.191 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.694 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -142.64 150.86 40.8 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.09 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.652 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 61.8 t-80 -143.08 152.74 42.19 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.451 1.119 . . . . 0.0 111.015 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.652 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 22.6 m-85 -127.87 136.88 52.0 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.56 ' HB2' ' CD ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -177.25 143.48 0.39 Allowed 'General case' 0 C--N 1.312 -1.045 0 O-C-N 118.648 -2.533 . . . . 0.0 109.687 177.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.566 ' HB2' ' CB ' ' A' ' 84' ' ' THR . 6.4 m-80 -151.36 -175.57 5.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.52 -37.09 47.66 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m -151.23 21.71 0.75 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.537 -0.727 . . . . 0.0 110.739 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.566 ' CB ' ' HB2' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -108.86 13.23 25.0 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.393 -1.442 . . . . 0.0 110.42 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.541 ' CB ' ' HA ' ' A' ' 80' ' ' SER . . . -92.94 70.7 4.65 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 120.583 -1.323 . . . . 0.0 107.668 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.26 -140.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 O-C-N 121.2 -0.938 . . . . 0.0 112.012 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.524 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 mttm -35.01 -53.5 0.58 Allowed 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.732 -0.605 . . . . 0.0 111.924 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -38.58 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 122.989 1.376 . . . . 0.0 109.693 -179.251 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.64 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 6.2 mmt180 -59.3 -41.17 88.35 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 3.8 t0 -40.95 -59.02 1.55 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -61.56 -36.09 79.63 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.405 -0.809 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.507 HG21 ' CG1' ' A' ' 12' ' ' VAL . 38.9 t -49.52 -67.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.669 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -49.45 -48.89 47.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.536 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 16.9 t0 -44.85 -24.37 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.745 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 98' ' ' GLN . 4.1 mt -82.01 -50.36 9.2 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.669 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 3.9 mt -38.04 -63.8 0.45 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.744 0.783 . . . . 0.0 110.289 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -66.03 -4.21 6.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.466 -0.771 . . . . 0.0 110.096 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.8 -35.9 16.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.438 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.42 -25.71 22.52 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.056 -1.028 . . . . 0.0 108.366 178.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.651 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 tp -44.62 -29.17 0.49 Allowed Pre-proline 0 C--N 1.298 -1.67 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.0 Cg_exo -76.78 -4.69 15.23 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 O-C-N 124.35 1.711 . . . . 0.0 112.499 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 99' ' ' LEU . 7.9 mttt -86.88 -45.07 11.19 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 120.688 -1.257 . . . . 0.0 111.238 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 2.4 p90 -105.24 3.21 29.81 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.501 -0.749 . . . . 0.0 109.72 -177.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' CD ' ' O ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -159.55 97.5 1.33 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -69.06 127.77 34.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.964 -1.085 . . . . 0.0 109.556 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -52.62 4.32 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.328 -0.857 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.24 160.36 21.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.266 -0.897 . . . . 0.0 109.324 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.314 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.405 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.23 -15.88 8.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.255 -0.903 . . . . 0.0 109.507 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 117.82 7.98 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.227 -0.921 . . . . 0.0 109.446 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -83.6 64.7 8.08 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.273 -0.892 . . . . 0.0 109.481 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -106.04 -160.99 0.77 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.21 -0.931 . . . . 0.0 109.277 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.56 ' HB2' ' CE ' ' A' ' 27' ' ' MET . 0.6 OUTLIER -59.94 152.16 24.29 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 0.0 109.403 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -120.88 109.96 15.75 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.167 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 HG11 ' SD ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -98.76 154.3 4.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.271 -1.518 . . . . 0.0 108.042 -178.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.596 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 23.4 tp -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.153 -1.019 . . . . 0.0 113.578 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' N ' HD23 ' A' ' 26' ' ' LEU . 24.5 tp -176.1 162.02 2.46 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.099 -2.25 . . . . 0.0 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.585 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.23 141.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 121.609 -0.682 . . . . 0.0 110.383 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -103.3 136.72 34.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.675 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -88.12 -34.18 17.98 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 116.434 2.013 . . . . 0.0 116.434 -173.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' HD3' ' HD2' ' A' ' 13' ' ' LYS . 1.6 tptp -132.39 100.12 4.89 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 115.743 -2.383 . . . . 0.0 111.733 172.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.599 HG12 ' CD1' ' A' ' 77' ' ' PHE . 21.8 t -109.54 161.54 7.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-O 122.873 1.32 . . . . 0.0 112.045 -174.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -124.03 122.0 36.73 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.482 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.5 pt20 -127.61 142.61 51.31 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.44 -21.03 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 122.146 -0.346 . . . . 0.0 111.843 -173.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -93.25 -53.16 4.22 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.221 -1.549 . . . . 0.0 110.686 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.594 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -151.56 169.2 22.68 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.549 0.69 . . . . 0.0 110.587 -174.061 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.94 135.51 47.25 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 101.465 -3.532 . . . . 0.0 101.465 177.1 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.7 166.1 35.94 Favored Glycine 0 C--N 1.295 -1.727 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -176.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.58 138.71 33.25 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.283 -1.716 . . . . 0.0 107.208 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 ' CD2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.38 134.42 51.21 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.127 -174.215 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 11.2 m-85 -115.85 136.27 53.2 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.38 139.33 51.01 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.581 ' CE ' ' NH2' ' A' ' 30' ' ' ARG . 6.2 ttt -136.95 150.62 48.28 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.59 -57.75 0.93 Allowed 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.37 0.605 . . . . 0.0 110.235 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.6 tp10 -87.23 -12.43 46.77 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.581 ' NH2' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -163.31 166.39 23.11 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.026 -2.296 . . . . 0.0 113.046 -179.307 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.588 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 mm -109.87 131.31 61.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.07 148.23 43.85 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.79 -1.194 . . . . 0.0 110.458 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.742 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 24.7 t90 -125.26 136.54 53.63 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -152.52 165.24 17.97 Favored Pre-proline 0 C--N 1.298 -1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 111.72 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -106.16 -158.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 124.04 1.547 . . . . 0.0 108.772 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -127.85 83.5 2.17 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.734 -1.229 . . . . 0.0 110.239 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.44 -143.36 3.64 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.28 40.98 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.133 -1.216 . . . . 0.0 108.361 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.35 132.25 3.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -119.25 -99.82 0.44 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 119.236 -2.165 . . . . 0.0 109.46 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.465 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 23.0 m-85 -41.52 93.94 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 CA-C-O 121.988 0.899 . . . . 0.0 110.991 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.643 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -87.15 -27.13 23.24 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -137.82 161.4 33.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-O 121.855 0.836 . . . . 0.0 111.285 -178.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 24.2 p -168.69 102.52 0.4 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.609 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.37 120.04 41.31 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.164 -0.96 . . . . 0.0 108.71 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.55 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.4 mtt -69.12 115.13 8.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.685 0.755 . . . . 0.0 110.302 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.5 m-30 -40.62 -43.63 1.95 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.673 -0.642 . . . . 0.0 110.733 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.4 -37.14 77.38 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.895 -1.753 . . . . 0.0 108.159 177.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.55 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 2.2 m-20 -65.49 -3.32 4.24 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.478 -1.237 . . . . 0.0 109.944 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.609 ' CD1' ' HB2' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -139.09 138.25 41.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.5 -0.75 . . . . 0.0 109.49 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -147.07 103.89 3.64 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 116.638 -2.025 . . . . 0.0 112.907 178.265 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.625 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 6.5 t 173.17 132.0 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.578 ' NE2' ' CD ' ' A' ' 104' ' ' LYS . 27.9 mp0 -143.84 123.5 13.31 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.151 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 117.93 26.77 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CG2' ' OE1' ' A' ' 97' ' ' GLN . 14.7 mm -108.96 103.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 120.911 -1.118 . . . . 0.0 109.318 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.722 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -117.16 39.61 0.28 Allowed Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 56' ' ' SER . 6.1 Cg_endo -128.76 33.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 116.198 -2.068 . . . . 0.0 112.275 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 59' ' ' GLY . 2.3 pp20? -69.75 -43.4 72.32 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.389 -1.444 . . . . 0.0 108.609 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 58' ' ' GLU . . . -143.48 56.5 0.56 Allowed Glycine 0 C--N 1.299 -1.482 0 N-CA-C 105.371 -3.092 . . . . 0.0 105.371 176.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -116.68 -168.18 1.41 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.615 1.197 . . . . 0.0 114.034 -175.164 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -38.19 -72.94 0.05 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.471 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.608 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -167.4 46.39 0.05 Allowed 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.655 -179.391 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.734 HG13 ' O ' ' A' ' 63' ' ' ILE 0.334 0.0 OUTLIER 79.46 83.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.702 1.715 . . . . 0.0 112.255 179.911 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 3.2 pt20 -123.76 132.52 53.82 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 113.948 -1.478 . . . . 0.0 107.364 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.59 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -130.01 163.8 25.68 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.337 -1.477 . . . . 0.0 111.389 -178.753 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -148.03 125.51 11.68 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.675 0.75 . . . . 0.0 110.009 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.555 ' CD2' ' HB ' ' A' ' 50' ' ' ILE . 3.9 tt -130.61 154.84 47.45 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.625 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.4 t -127.66 157.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 117.611 -1.635 . . . . 0.0 111.623 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -88.41 147.31 24.77 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.579 -176.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.514 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 61.0 m-70 -46.86 -30.96 2.76 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.77 -154.42 0.08 Allowed 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.574 -1.194 . . . . 0.0 107.952 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.41 52.14 0.66 Allowed Glycine 0 C--N 1.298 -1.555 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.581 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 5.2 m-20 -128.23 130.71 48.37 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 3.0 m -108.02 164.53 12.2 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 29.3 m -130.69 109.98 11.03 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.459 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 2.0 m-20 -109.83 138.29 46.4 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.742 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -142.99 144.47 32.33 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.94 -179.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 35.4 t-80 -144.98 156.87 44.2 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.67 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CD1' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -145.97 145.64 30.72 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.581 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . 35.8 t -177.22 142.03 0.34 Allowed 'General case' 0 C--O 1.215 -0.739 0 O-C-N 119.865 -1.772 . . . . 0.0 107.624 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.532 ' CB ' HG21 ' A' ' 84' ' ' THR . 6.4 m-80 -150.49 177.51 9.94 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.569 -1.332 . . . . 0.0 109.512 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 35.5 tp10 -46.86 -38.34 10.21 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.28 17.9 0.84 Allowed 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.574 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.532 HG21 ' CB ' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -112.46 21.13 16.01 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.368 -1.458 . . . . 0.0 109.135 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . -94.24 64.46 3.22 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.907 -1.121 . . . . 0.0 108.295 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG21 ' N ' ' A' ' 87' ' ' LYS . 10.5 m -153.09 -141.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.388 -1.445 . . . . 0.0 112.518 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.525 ' N ' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -34.57 -45.73 0.25 Allowed 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.954 -0.466 . . . . 0.0 110.348 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -45.28 -72.63 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.821 1.296 . . . . 0.0 108.957 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.603 ' HG3' ' HB2' ' A' ' 79' ' ' PHE . 6.7 mmt180 -63.63 -54.94 28.0 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -52.07 -12.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.248 -0.908 . . . . 0.0 110.514 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.581 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.65 -34.81 11.25 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.793 -1.192 . . . . 0.0 109.709 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.519 ' CG1' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.47 -40.12 77.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.035 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.665 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.6 ttpt -63.41 -60.83 2.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 44.8 t0 -43.01 -23.59 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.596 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 1.2 mt -89.38 -43.61 10.78 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.031 -1.043 . . . . 0.0 108.225 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 5.9 mt -41.05 -59.3 1.51 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.07 0.938 . . . . 0.0 109.889 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.665 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.5 -0.68 5.31 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 110.076 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.56 -39.11 13.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.581 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.13 -24.03 30.43 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.159 -0.963 . . . . 0.0 108.924 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.661 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 13.7 mt -44.75 -52.25 19.08 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 34.8 Cg_exo -46.8 -39.23 23.93 Favored 'Trans proline' 0 C--N 1.297 -2.144 0 O-C-N 124.33 1.7 . . . . 0.0 110.867 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -49.4 -41.78 40.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.598 -0.689 . . . . 0.0 112.554 -178.193 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -113.5 1.82 15.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.755 -1.216 . . . . 0.0 110.273 -177.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.578 ' CD ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -160.0 120.52 3.01 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.14 -0.975 . . . . 0.0 109.636 179.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 101' ' ' PRO . 1.3 ptt180 -160.25 -49.54 0.05 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.514 -0.741 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -111.58 -79.69 0.58 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.243 -0.911 . . . . 0.0 109.539 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.03 33.14 0.34 Allowed 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.231 -0.918 . . . . 0.0 109.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.364 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.428 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.35 0.595 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.34 -163.68 1.08 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.267 -0.895 . . . . 0.0 109.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -62.03 -171.14 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.34 -0.85 . . . . 0.0 109.304 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -43.66 142.51 1.21 Allowed 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.371 -0.831 . . . . 0.0 109.499 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -113.42 -149.01 0.44 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.23 -0.919 . . . . 0.0 109.571 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.83 163.86 18.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -119.86 113.07 20.03 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.584 ' CG1' ' CE ' ' A' ' 27' ' ' MET . 2.0 m -98.63 154.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 120.331 -1.481 . . . . 0.0 108.969 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 24.2 tp -98.67 -39.09 8.85 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.937 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -168.19 152.41 6.17 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.445 -2.034 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.636 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 137.06 58.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.3 -0.875 . . . . 0.0 109.099 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -122.68 96.87 4.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 122.303 1.049 . . . . 0.0 109.082 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.79 -18.94 9.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.016 0.912 . . . . 0.0 110.262 179.471 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' O ' HG21 ' A' ' 15' ' ' VAL . 4.4 tptt -113.87 116.73 29.76 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.091 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.678 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.33 146.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 118.131 -1.427 . . . . 0.0 109.215 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -122.08 139.97 53.09 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 pt20 -145.14 137.29 25.8 Favored 'General case' 0 C--N 1.279 -2.474 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -36.72 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.848 -0.532 . . . . 0.0 110.923 -174.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 17' ' ' GLN . 10.2 ptmt -81.5 -58.42 3.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.65 -1.281 . . . . 0.0 110.518 178.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.595 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.1 169.1 22.66 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 0.0 110.815 -174.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -105.84 129.85 53.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 101.451 -3.537 . . . . 0.0 101.451 176.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.05 166.29 36.25 Favored Glycine 0 C--N 1.298 -1.58 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 13' ' ' LYS . . . -84.55 133.17 34.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 123.292 1.52 . . . . 0.0 110.451 -177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.678 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -107.86 132.61 53.27 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 113.113 -1.858 . . . . 0.0 109.547 -175.351 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.636 ' CE1' HG13 ' A' ' 11' ' ' ILE . 13.6 m-85 -111.25 133.34 53.67 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD11 HG12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -112.84 133.62 54.74 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.755 -1.841 . . . . 0.0 108.379 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.584 ' CE ' ' CG1' ' A' ' 8' ' ' VAL . 5.0 ttm -120.41 146.44 46.2 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.97 -58.21 2.91 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.182 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 4.0 tt0 -87.19 -2.11 58.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.456 -0.777 . . . . 0.0 112.948 -175.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -161.36 165.54 28.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.146 -2.221 . . . . 0.0 112.557 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.591 HG13 ' CE1' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -109.07 141.13 25.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -130.43 144.22 51.26 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.953 -1.092 . . . . 0.0 110.995 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 13.0 t90 -121.56 142.39 50.13 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.236 -0.985 . . . . 0.0 110.746 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.87 116.67 3.29 Favored Pre-proline 0 C--N 1.298 -1.648 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.419 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.625 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.1 Cg_endo -115.8 -152.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.921 1.485 . . . . 0.0 109.043 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.26 39.78 0.96 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.091 -1.005 . . . . 0.0 109.209 179.377 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . -64.27 -121.08 0.01 OUTLIER Glycine 0 C--O 1.215 -1.058 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 17.9 ptpt -152.18 51.16 0.78 Allowed 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.086 -1.244 . . . . 0.0 110.305 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.499 ' OD1' ' NH1' ' A' ' 40' ' ' ARG . 64.6 t0 -160.93 -121.95 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' NH1' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -138.74 -50.99 0.55 Allowed 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.488 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 46.6 m-85 -106.4 154.51 20.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.617 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -128.62 -16.37 4.29 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.07 -1.019 . . . . 0.0 110.391 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.81 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.8 156.16 6.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 C-N-CA 118.789 -1.164 . . . . 0.0 111.791 -179.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 62.5 m -164.18 101.48 0.86 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.508 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.19 115.98 30.7 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 121.17 -0.957 . . . . 0.0 108.88 178.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.578 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -69.01 118.11 11.51 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.874 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 6.3 m-30 -41.3 -44.67 2.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.817 -0.552 . . . . 0.0 109.712 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.86 76.42 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 119.712 -1.868 . . . . 0.0 108.127 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 22.7 m-20 -68.29 -3.81 12.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.996 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.612 ' O ' ' O ' ' A' ' 47' ' ' TYR . 2.7 pp -144.66 142.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.461 -0.774 . . . . 0.0 109.217 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HD2' ' C ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -143.27 103.78 4.18 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 119.112 -2.243 . . . . 0.0 112.299 178.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.08 134.41 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.55 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 3.2 mm-40 -143.58 122.7 12.9 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 117.823 -1.551 . . . . 0.0 110.963 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -127.68 113.23 15.77 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.301 -179.202 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.59 ' CG2' ' CB ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -147.84 100.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 120.623 -1.298 . . . . 0.0 110.363 179.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.653 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.0 t -120.87 25.27 0.11 Allowed Pre-proline 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.737 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 1.4 Cg_endo -68.56 55.48 0.86 Allowed 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 115.831 -2.313 . . . . 0.0 112.442 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' SER . 2.2 tp10 -105.41 -25.15 12.48 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 177.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 27.9 1.95 Allowed Glycine 0 CA--C 1.534 1.234 0 N-CA-C 106.141 -2.783 . . . . 0.0 106.141 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 56' ' ' SER . 19.7 mmtt -93.89 -168.65 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 122.185 0.993 . . . . 0.0 112.495 -175.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' C ' ' CG ' ' A' ' 62' ' ' LYS . . . -45.11 -70.16 0.11 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.642 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.08 54.21 0.03 OUTLIER 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.181 178.6 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.737 ' HA ' ' CB ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER 83.65 71.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-O 123.649 1.69 . . . . 0.0 113.407 177.584 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.526 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -121.45 133.72 55.07 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.383 178.576 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.59 ' CB ' ' CG2' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -120.49 165.62 14.71 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.939 -1.101 . . . . 0.0 110.124 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -140.87 136.9 32.8 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.904 0.859 . . . . 0.0 110.694 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -140.62 148.7 41.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.634 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.2 t -126.7 157.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 123.336 1.541 . . . . 0.0 110.94 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.766 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -92.11 144.1 25.77 Favored 'General case' 0 C--N 1.277 -2.554 0 CA-C-N 113.549 -1.66 . . . . 0.0 109.046 -177.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.7 p80 -46.66 -30.48 2.36 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.42 -153.38 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.95 53.75 0.57 Allowed Glycine 0 C--N 1.292 -1.865 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.601 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 25.8 m-20 -129.42 131.64 46.81 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.086 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.495 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.04 165.12 11.59 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 45' ' ' HIS . 2.5 m -140.82 105.86 4.98 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 3.1 m-20 -109.17 144.04 37.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -147.58 146.43 29.39 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.967 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.654 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 60.1 t-80 -136.6 157.91 45.68 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.448 1.118 . . . . 0.0 110.911 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.654 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 54.4 m-85 -126.6 135.11 50.8 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.527 ' O ' ' O ' ' A' ' 81' ' ' ASN . 4.5 t -178.16 48.21 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 O-C-N 118.459 -2.65 . . . . 0.0 108.993 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.545 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -59.86 -139.84 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.342 -0.848 . . . . 0.0 109.13 -178.108 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 81' ' ' ASN . 1.7 pm0 -42.88 -85.95 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -136.93 41.95 2.47 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 86' ' ' VAL . 8.8 t -87.22 -17.55 32.35 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.096 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.637 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . . . -61.08 81.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 122.768 1.27 . . . . 0.0 108.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 84' ' ' THR . 2.3 t -150.55 -132.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.754 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -59.93 -45.51 92.36 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 111.057 -179.186 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 84' ' ' THR . 0.5 OUTLIER -39.3 -73.11 0.05 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 122.835 1.302 . . . . 0.0 110.065 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.633 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 7.7 mmt180 -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 89' ' ' ARG . 25.8 t0 -38.51 -55.15 1.44 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -62.8 -35.92 81.44 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.442 -0.786 . . . . 0.0 110.319 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ARG . 15.0 t -52.43 -61.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.679 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 12.6 tttp -55.18 -53.2 59.0 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.518 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 4.1 t70 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.9 OUTLIER -92.13 -44.72 8.65 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 120.7 -1.25 . . . . 0.0 108.315 178.295 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.612 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 4.4 mt -36.42 -62.27 0.47 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 122.124 0.964 . . . . 0.0 110.075 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.679 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.88 0.3 0.89 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.802 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.61 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -95.08 -39.43 10.14 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.612 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -79.85 -31.95 40.48 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.393 -0.817 . . . . 0.0 109.446 179.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 1.1 mt -41.47 -39.46 2.31 Favored Pre-proline 0 C--N 1.304 -1.377 0 O-C-N 121.63 -0.669 . . . . 0.0 109.421 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 50.1 Cg_exo -66.93 0.13 4.07 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 O-C-N 124.663 1.875 . . . . 0.0 112.365 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.18 -45.29 8.73 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.936 -1.103 . . . . 0.0 111.618 -178.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.698 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -99.92 -3.84 31.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.329 -0.857 . . . . 0.0 110.251 -176.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.546 ' CD ' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -93.34 29.11 2.01 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.233 -0.917 . . . . 0.0 109.471 179.299 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 104' ' ' LYS . 1.5 mmm180 -61.22 -123.6 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.734 -0.604 . . . . 0.0 109.423 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -40.63 0.4 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.732 -1.23 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.66 -45.89 13.94 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 109.29 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.427 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.8 97.42 3.25 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.231 -0.918 . . . . 0.0 109.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.59 -84.5 0.35 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.226 -0.921 . . . . 0.0 109.511 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 t -136.21 -72.37 0.45 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.258 -0.901 . . . . 0.0 109.467 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -143.97 -98.82 0.11 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.178 -0.951 . . . . 0.0 109.557 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 1.9 pm0 -68.25 162.72 24.43 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.038 -1.039 . . . . 0.0 110.202 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 mm-40 -120.64 112.55 19.04 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -98.88 152.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 O-C-N 120.191 -1.568 . . . . 0.0 108.7 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 95' ' ' LEU . 17.1 tp -100.57 -30.85 11.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 26' ' ' LEU . 39.5 tp -174.52 152.11 1.64 Allowed 'General case' 0 C--O 1.214 -0.78 0 O-C-N 119.11 -2.244 . . . . 0.0 111.571 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.626 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 146.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.805 0.812 . . . . 0.0 111.174 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.635 ' CG1' ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -124.38 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.45 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.84 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -60.01 -81.52 0.02 OUTLIER 'General case' 0 C--O 1.183 -2.42 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.9 104.82 14.38 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 118.524 -2.61 . . . . 0.0 115.466 -172.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.635 ' CG2' ' CG1' ' A' ' 12' ' ' VAL . 45.6 t -106.57 164.8 4.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.129 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.544 ' NH2' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -114.86 142.86 45.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.9 pt20 -143.66 147.77 34.8 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -36.5 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -101.85 -52.54 3.16 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.095 -1.628 . . . . 0.0 111.575 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.38 169.24 22.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.536 0.684 . . . . 0.0 111.147 -172.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.592 ' CG ' ' O ' ' A' ' 15' ' ' VAL . 2.4 t70 -105.24 134.23 48.69 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 100.481 -3.896 . . . . 0.0 100.481 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' HA3' ' NE1' ' A' ' 33' ' ' TRP . . . -161.51 166.53 36.0 Favored Glycine 0 C--N 1.291 -1.964 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.69 141.6 32.33 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.065 -1.844 . . . . 0.0 108.321 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -108.9 125.23 51.79 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.668 -175.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.626 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.9 m-85 -111.37 135.86 51.33 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.92 139.35 51.27 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.522 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 1.2 ttp -138.91 146.68 41.38 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.62 -57.66 0.94 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.772 -0.58 . . . . 0.0 110.605 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.0 tt0 -86.63 -11.98 49.83 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.061 -1.056 . . . . 0.0 113.381 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -163.44 165.04 24.26 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 119.235 -2.166 . . . . 0.0 112.408 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.586 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -110.86 128.93 66.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . . . -112.96 146.75 38.47 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.71 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 28.5 t90 -131.51 138.24 48.86 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.554 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.85 148.72 22.17 Favored Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.294 -0.878 . . . . 0.0 110.806 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.554 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo -105.85 -167.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.651 1.343 . . . . 0.0 109.401 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 4.4 pt-20 -78.47 97.09 5.57 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.039 -1.038 . . . . 0.0 109.778 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.13 162.98 33.58 Favored Glycine 0 C--N 1.306 -1.118 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -45.91 -40.53 10.26 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.199 -1.177 . . . . 0.0 109.17 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.65 149.07 44.19 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -102.54 -2.75 27.95 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 121.41 -0.806 . . . . 0.0 109.515 179.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 48.2 m-85 -142.28 129.86 21.42 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.63 0.728 . . . . 0.0 110.798 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.633 ' CG2' ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -104.62 -29.82 10.38 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -149.14 157.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.751 0.786 . . . . 0.0 110.032 178.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.564 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -155.88 113.75 3.34 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.639 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.76 123.88 50.3 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.9 -1.125 . . . . 0.0 110.549 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -68.01 112.87 5.25 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.117 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 1.2 m-30 -40.16 -39.97 1.01 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.259 -0.9 . . . . 0.0 110.856 -177.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -69.33 -36.5 77.0 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 120.079 -1.638 . . . . 0.0 108.19 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 46' ' ' MET . 8.5 m-20 -63.77 -3.22 2.21 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.719 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.583 ' CD1' HD22 ' A' ' 67' ' ' LEU . 1.2 pt -139.11 135.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.512 -0.742 . . . . 0.0 109.172 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -138.63 103.49 4.87 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 119.732 -1.855 . . . . 0.0 112.032 178.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.632 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.83 130.23 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 176.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.56 ' NE2' ' CD1' ' A' ' 67' ' ' LEU . 11.4 mm-40 -143.99 120.94 11.34 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 117.048 -1.861 . . . . 0.0 112.056 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 2.1 tttt -134.03 112.31 11.09 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 2.4 mm -141.86 102.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.978 -1.076 . . . . 0.0 109.628 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.628 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.7 p -119.29 37.6 0.27 Allowed Pre-proline 0 C--N 1.297 -1.711 0 O-C-N 121.475 -0.766 . . . . 0.0 110.535 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.798 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 5.9 Cg_exo -79.52 53.4 4.71 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 114.876 -2.95 . . . . 0.0 111.526 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -107.11 -26.8 10.96 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.55 26.03 1.97 Allowed Glycine 0 CA--C 1.538 1.515 0 N-CA-C 107.031 -2.428 . . . . 0.0 107.031 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -84.81 -170.15 2.98 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 122.526 1.155 . . . . 0.0 112.912 -176.19 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.1 -65.0 0.72 Allowed 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.435 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.68 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.17 50.42 0.24 Allowed 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 118.174 -1.41 . . . . 0.0 112.961 -179.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.798 ' HA ' ' HB3' ' A' ' 57' ' ' PRO 0.306 0.0 OUTLIER 77.03 84.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 123.19 1.472 . . . . 0.0 111.012 179.772 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -127.82 132.54 49.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.503 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -125.94 162.04 26.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 109.717 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 2.5 tt0 -149.86 128.49 12.36 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.348 -0.845 . . . . 0.0 110.671 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.583 HD22 ' CD1' ' A' ' 50' ' ' ILE . 2.2 tt -136.09 153.1 51.42 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.632 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.4 t -126.82 158.06 37.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-O 123.354 1.55 . . . . 0.0 111.776 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.765 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -87.74 144.73 26.47 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.113 -177.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.7 p80 -46.46 -31.27 2.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -77.09 -154.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.85 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 51.19 0.72 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.518 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.3 t0 -128.6 129.38 45.84 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.49 163.92 12.8 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 45' ' ' HIS . 3.9 m -135.1 106.0 6.58 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 5.2 m-20 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.71 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -141.66 143.17 33.47 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 117.895 -1.522 . . . . 0.0 110.626 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.715 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 66.7 t-80 -145.55 145.11 30.89 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.436 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.715 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 13.1 m-85 -112.63 139.89 47.85 Favored 'General case' 0 C--N 1.277 -2.584 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.622 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 8.7 t -176.75 118.15 0.12 Allowed 'General case' 0 C--N 1.311 -1.108 0 O-C-N 118.967 -2.333 . . . . 0.0 110.89 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.571 ' HB2' ' CG2' ' A' ' 84' ' ' THR . 8.3 m-80 -150.72 -167.06 2.71 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -48.82 -42.51 36.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.811 -1.181 . . . . 0.0 108.43 179.206 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.1 m -151.83 32.04 0.56 Allowed 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.378 -0.826 . . . . 0.0 111.437 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.571 ' CG2' ' HB2' ' A' ' 81' ' ' ASN . 40.0 p -89.27 -31.37 17.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.227 -1.546 . . . . 0.0 109.256 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . . . -77.69 79.45 4.17 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.6 1.19 . . . . 0.0 110.642 -177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 1.0 OUTLIER -150.63 -148.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.284 -2.26 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.055 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -49.83 -28.09 5.94 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.401 -0.812 . . . . 0.0 110.408 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' HB2' ' NE ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -56.51 -72.05 0.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.649 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.3 mmt180 -56.59 -37.91 71.27 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.535 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -58.57 -17.84 24.92 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.053 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' A' ' 94' ' ' ASP . . . -84.46 -39.75 18.55 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 176.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.9 t -59.12 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.6 ttpt -44.15 -37.19 2.98 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.44 -0.787 . . . . 0.0 108.939 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.581 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.5 m-20 -53.96 -30.64 47.66 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? -92.81 -41.87 9.86 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.165 -0.959 . . . . 0.0 109.585 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 99' ' ' LEU . 11.7 mt -44.45 -67.98 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.235 -0.916 . . . . 0.0 112.056 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.12 -1.31 0.3 Allowed 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.482 -1.387 . . . . 0.0 110.538 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.487 ' H ' ' C ' ' A' ' 96' ' ' LEU . 4.2 tt0 -93.45 -36.43 12.47 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.044 -1.035 . . . . 0.0 109.663 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -85.53 -25.08 27.0 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 120.799 -1.188 . . . . 0.0 110.011 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.8 OUTLIER -50.09 -33.66 8.34 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 120.832 -1.168 . . . . 0.0 108.558 -178.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -73.23 -5.43 17.15 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.251 1.658 . . . . 0.0 111.203 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 3.4 tttp -80.66 -42.67 21.68 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 111.683 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -108.01 5.5 26.21 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 0.0 110.298 -177.218 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' A' ' 103' ' ' PHE . 13.8 tptt -155.86 105.73 2.4 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.19 -0.944 . . . . 0.0 109.719 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.538 ' CG ' ' N ' ' A' ' 106' ' ' LYS . 10.1 ptt180 -137.11 -46.7 0.57 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.258 -0.901 . . . . 0.0 108.992 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.538 ' N ' ' CG ' ' A' ' 105' ' ' ARG . 22.7 tttt -86.74 113.8 22.89 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.306 -0.871 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.99 111.86 7.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.247 -0.908 . . . . 0.0 109.459 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 108' ' ' ASN . 4.1 p-10 . . . . . 0 C--N 1.305 -1.327 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.396 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.84 -71.81 0.13 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.214 -0.929 . . . . 0.0 109.416 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' SER . 1.5 p -95.07 -99.05 0.16 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.296 -0.878 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -52.84 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -101.21 -68.65 0.81 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.214 -0.928 . . . . 0.0 109.738 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.88 158.92 23.89 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.88 109.79 15.97 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.531 ' CG1' ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.89 154.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 120.43 -1.419 . . . . 0.0 109.403 -177.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.539 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 30.0 tp -98.82 -27.17 14.05 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.629 -177.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 37.2 tp -173.5 160.61 3.89 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 119.252 -2.155 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.18 133.51 34.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG11 ' NH1' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -116.64 96.5 4.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.78 -1.2 . . . . 0.0 109.554 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 2.0 mptt -50.18 -19.63 0.82 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' HG21 ' A' ' 15' ' ' VAL . 1.4 tptp -113.14 110.46 20.46 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.379 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.716 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 50.8 t -150.56 144.7 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.34 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.562 175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -125.67 142.83 51.31 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.0 pt20 -140.41 136.22 32.85 Favored 'General case' 0 C--N 1.278 -2.513 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -36.17 -22.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.961 -0.462 . . . . 0.0 111.618 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptmm? -81.67 -53.17 6.45 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.336 -1.477 . . . . 0.0 109.882 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.649 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 8.2 tp60 -151.45 168.48 24.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.967 -173.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -105.63 133.76 49.84 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 101.365 -3.569 . . . . 0.0 101.365 176.295 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.43 166.04 36.38 Favored Glycine 0 C--N 1.301 -1.402 0 C-N-CA 120.172 -1.013 . . . . 0.0 110.753 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -85.4 133.6 34.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.519 1.152 . . . . 0.0 109.178 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.716 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -107.99 141.31 39.84 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.179 -175.078 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 11.7 m-85 -116.47 135.91 53.43 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -112.37 137.21 50.85 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.472 -1.393 . . . . 0.0 107.374 178.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.531 ' SD ' ' CG1' ' A' ' 8' ' ' VAL . 2.7 ttp -134.18 138.91 45.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.18 -56.0 0.95 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.733 -0.604 . . . . 0.0 110.192 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 1.1 tp10 -87.34 -14.27 41.22 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.383 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -159.08 163.72 36.01 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.299 -2.126 . . . . 0.0 112.422 -178.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.546 ' CG1' ' OH ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -109.85 124.28 66.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.936 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -109.28 153.71 23.49 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.477 -0.764 . . . . 0.0 109.688 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.703 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 22.7 t90 -132.28 141.13 48.87 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.367 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.33 117.19 3.21 Favored Pre-proline 0 C--N 1.295 -1.795 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.023 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.8 Cg_endo -86.35 -175.55 1.79 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.979 1.515 . . . . 0.0 109.904 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.9 63.88 7.23 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.162 -0.961 . . . . 0.0 109.414 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.91 -119.86 3.51 Favored Glycine 0 C--N 1.305 -1.141 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.3 mttt -129.88 -51.34 1.14 Allowed 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -1.146 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' PHE . 2.5 p-10 -63.77 77.24 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.307 -0.87 . . . . 0.0 109.693 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -18.18 -46.26 0.0 OUTLIER 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' ASP . 19.8 m-85 -106.24 146.57 30.16 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.892 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.641 HG21 ' N ' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -120.11 -46.4 2.42 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.645 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -150.77 177.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.103 -1.039 . . . . 0.0 111.614 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -170.22 112.57 0.44 Allowed 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.502 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.645 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.13 129.16 55.48 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.723 -1.236 . . . . 0.0 110.265 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -74.09 107.83 6.52 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.52 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.653 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 4.1 m-30 -31.06 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -67.29 -46.05 74.74 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 119.965 -1.709 . . . . 0.0 108.074 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 16.5 m-20 -65.9 -5.62 9.8 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.317 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.6 ' CG2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -123.1 114.55 42.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HG3' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -141.8 103.55 4.37 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 115.982 -2.287 . . . . 0.0 113.428 178.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 1.6 t 172.73 138.66 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 52' ' ' CYS . 6.4 mp0 -143.27 120.98 11.86 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.663 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 143.66 50.6 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.531 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 1.1 pp -109.46 102.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 120.912 -1.117 . . . . 0.0 108.451 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.648 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 35.2 m -99.94 -11.06 0.15 Allowed Pre-proline 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 111.856 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 56' ' ' SER . 5.1 Cg_endo -88.23 47.48 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 115.364 -2.624 . . . . 0.0 110.414 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -96.52 -32.6 12.2 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.06 37.39 2.01 Favored Glycine 0 C--O 1.215 -1.046 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 25.8 mmtm -93.9 -137.34 0.2 Allowed 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.33 -2.04 3.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.626 ' CD ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -157.67 -113.87 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -178.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.723 HG12 ' O ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -157.39 83.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 120.635 -1.291 . . . . 0.0 113.272 -176.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.606 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 3.5 pt20 -108.56 131.37 54.92 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 118.862 -2.399 . . . . 0.0 107.37 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.578 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -109.03 171.16 7.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.717 -1.239 . . . . 0.0 112.861 -176.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.542 ' CG ' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -135.61 127.15 28.79 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.951 0.881 . . . . 0.0 110.63 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.6 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -129.56 133.66 47.32 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.237 -2.135 . . . . 0.0 105.237 179.287 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.666 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.6 t -111.89 157.19 12.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 117.7 -1.6 . . . . 0.0 111.18 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.721 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.59 147.2 27.88 Favored 'General case' 0 C--N 1.28 -2.435 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.765 -178.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.0 p80 -49.15 -33.21 11.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.02 -153.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.97 53.32 0.59 Allowed Glycine 0 C--N 1.301 -1.381 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.578 ' O ' HD22 ' A' ' 69' ' ' LEU . 18.2 m-20 -127.68 139.9 52.42 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.8 160.1 16.24 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 119.66 -0.816 . . . . 0.0 108.968 -178.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 67' ' ' LEU . 86.1 m -133.74 104.46 6.34 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.542 ' ND2' ' CG ' ' A' ' 66' ' ' GLN . 4.3 m120 -109.77 146.35 35.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.842 -1.161 . . . . 0.0 108.974 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.703 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -150.8 141.08 22.31 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.962 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.672 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 26.5 t-80 -130.45 165.22 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.308 1.052 . . . . 0.0 113.163 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.635 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.7 m-85 -149.36 126.75 11.5 Favored 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.608 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 6.1 t -177.8 59.91 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.779 0 O-C-N 118.309 -2.744 . . . . 0.0 109.216 175.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -61.31 -132.76 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 108.522 -179.387 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -48.07 -79.52 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -138.68 50.71 1.85 Allowed 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 86' ' ' VAL . 80.4 p -88.08 -23.08 23.82 Favored 'General case' 0 C--O 1.208 -1.109 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.462 -176.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 62' ' ' LYS . . . -59.91 79.74 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.813 -1.18 . . . . 0.0 109.285 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.623 ' N ' ' O ' ' A' ' 84' ' ' THR . 1.6 t -150.71 -145.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.415 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -46.2 -40.97 12.11 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.924 -1.11 . . . . 0.0 110.324 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -52.32 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.91 -1.119 . . . . 0.0 110.025 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.8 mmt180 -61.95 -56.25 21.07 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 6.3 t70 -35.84 -48.14 0.54 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -62.03 -54.04 47.05 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ARG . 39.0 t -38.31 -58.74 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.649 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 27.1 ttpp -59.12 -52.24 66.57 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -47.51 -19.67 0.19 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 5.5 mt -89.04 -45.29 9.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 10.8 mt -40.56 -61.12 0.98 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.884 0.849 . . . . 0.0 109.919 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.649 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.4 -0.13 7.67 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.576 -0.703 . . . . 0.0 110.018 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.16 -27.79 16.69 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.575 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.35 -23.74 19.14 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.802 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.659 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 2.7 tm? -45.61 -33.93 2.25 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 100' ' ' LEU . 41.2 Cg_exo -68.78 -1.37 7.54 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 124.069 1.563 . . . . 0.0 111.983 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.7 tttm -87.98 -44.22 11.17 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 112.617 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.659 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -105.03 -0.89 26.36 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -176.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.535 ' CE ' ' HG3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.02 -151.9 0.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.557 -0.714 . . . . 0.0 109.731 179.109 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.515 ' NH1' ' HG2' ' A' ' 105' ' ' ARG . 1.8 ttt-85 -131.49 104.7 7.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.576 -0.703 . . . . 0.0 109.394 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.4 -71.19 0.47 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.94 -55.93 2.14 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.28 -0.887 . . . . 0.0 109.434 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.305 -1.35 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.426 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.291 0.567 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.48 19.19 1.7 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.204 -0.935 . . . . 0.0 109.438 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' SER . 1.3 p -64.09 -170.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.232 -0.917 . . . . 0.0 109.432 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -49.92 179.03 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.273 -0.892 . . . . 0.0 109.579 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -92.46 -68.53 0.79 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.276 -0.89 . . . . 0.0 109.628 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.35 160.95 28.49 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -120.54 114.38 21.66 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG13 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -98.66 154.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 O-C-N 120.035 -1.666 . . . . 0.0 109.353 -176.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 20.0 tp -98.74 -32.68 11.26 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.715 -0.794 . . . . 0.0 112.624 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 42.0 tp -175.93 147.21 0.75 Allowed 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.245 -2.159 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.612 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.29 141.42 33.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.496 -0.752 . . . . 0.0 109.71 179.253 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -122.15 117.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 177.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 1.016 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 16.8 ttmt -58.17 -83.27 0.01 OUTLIER 'General case' 0 C--O 1.186 -2.242 0 C-N-CA 116.729 -1.989 . . . . 0.0 108.482 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' CB ' ' OD1' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -49.77 133.85 21.2 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 119.735 -1.853 . . . . 0.0 111.943 -178.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.743 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 5.6 t -151.14 150.86 12.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.968 172.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.592 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 8.3 tpp180 -122.2 132.89 54.67 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.0 pt20 -137.03 130.24 31.09 Favored 'General case' 0 C--N 1.275 -2.667 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mttp -36.37 -22.42 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.656 -0.652 . . . . 0.0 111.868 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 13.6 ptmm? -80.66 -53.44 6.53 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.358 -1.464 . . . . 0.0 110.348 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.58 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 40.0 tt0 -152.0 168.29 25.7 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.575 -0.703 . . . . 0.0 110.116 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -106.43 132.01 52.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 101.544 -3.502 . . . . 0.0 101.544 175.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.547 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.81 166.11 36.01 Favored Glycine 0 C--N 1.291 -1.946 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.016 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.48 134.05 34.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.873 1.321 . . . . 0.0 111.539 -176.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.743 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.03 135.35 50.34 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.848 -176.059 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.612 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.0 m-85 -115.89 141.79 47.63 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -120.29 138.19 53.83 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 178.23 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 28' ' ' ALA . 3.5 ttp -144.76 144.26 31.09 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.5 -47.19 0.61 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.874 0.845 . . . . 0.0 109.196 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 46' ' ' MET . 2.0 tp10 -85.14 -31.45 23.28 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.375 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.61 ' HB3' ' HA ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -162.13 166.49 25.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 119.733 -1.854 . . . . 0.0 113.386 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.576 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -108.99 131.77 58.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -114.92 156.98 24.0 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.081 -1.012 . . . . 0.0 111.369 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.716 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 15.5 t90 -129.56 137.46 50.76 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.685 -0.635 . . . . 0.0 109.376 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 40' ' ' ARG . . . -151.88 148.52 21.8 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 121.397 -0.815 . . . . 0.0 110.835 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -102.34 -157.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.754 1.397 . . . . 0.0 109.638 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 7.3 pt-20 -109.02 87.86 2.59 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.162 -0.961 . . . . 0.0 109.679 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -160.11 -177.04 32.85 Favored Glycine 0 C--N 1.306 -1.117 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.6 mttt -46.44 -71.6 0.07 Allowed 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.201 -1.176 . . . . 0.0 108.977 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -62.03 141.79 57.88 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 1.1 ptt180 -101.56 -89.8 0.35 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.922 0.867 . . . . 0.0 109.558 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.453 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 33.0 m-85 -47.12 118.97 2.33 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.039 0.924 . . . . 0.0 111.172 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.631 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -96.08 -39.26 9.82 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.625 ' N ' HG21 ' A' ' 42' ' ' THR . 1.1 pt -151.1 175.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.778 0.799 . . . . 0.0 111.283 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 p -159.61 128.21 5.07 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.652 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -109.13 104.75 13.99 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.68 -1.263 . . . . 0.0 108.976 -179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.61 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -65.52 103.53 0.86 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.076 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 3.8 m-30 -32.29 -39.21 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 122.085 -0.384 . . . . 0.0 111.899 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -68.39 -46.15 70.79 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 120.014 -1.679 . . . . 0.0 108.479 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.7 m-20 -65.73 -5.68 9.38 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.606 ' CG2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -122.06 116.63 49.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' CE ' ' HG2' ' A' ' 104' ' ' LYS . 5.9 tptp -136.66 102.93 5.06 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 115.708 -2.397 . . . . 0.0 113.259 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.654 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 5.4 t 172.18 131.33 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HG3' ' CD1' ' A' ' 100' ' ' LEU . 19.0 mm-40 -142.95 127.69 18.16 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 116.599 -2.04 . . . . 0.0 112.689 -176.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 112.77 8.7 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.236 -1.802 . . . . 0.0 106.374 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.523 HG23 ' CB ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -144.57 102.61 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.942 -1.099 . . . . 0.0 109.455 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.627 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -119.62 38.79 0.31 Allowed Pre-proline 0 C--N 1.297 -1.713 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.912 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.71 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 4.3 Cg_exo -82.9 45.84 2.0 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 115.04 -2.84 . . . . 0.0 111.83 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -29.6 17.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' C ' ' HD2' ' A' ' 60' ' ' LYS . . . -143.36 46.52 0.84 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 106.152 -2.779 . . . . 0.0 106.152 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.71 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -107.67 -170.26 1.66 Allowed 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.728 1.252 . . . . 0.0 112.867 -175.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.518 ' C ' ' CD ' ' A' ' 62' ' ' LYS . . . -44.24 -68.4 0.2 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.433 -1.258 . . . . 0.0 107.781 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.801 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -172.8 55.84 0.02 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.782 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.801 ' CG2' ' O ' ' A' ' 62' ' ' LYS 0.335 0.8 OUTLIER 79.42 80.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 121.708 2.049 . . . . 0.0 113.814 -179.176 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 2.9 pt20 -124.56 130.75 53.02 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.086 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.573 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.65 163.93 22.39 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.264 -1.522 . . . . 0.0 111.474 -179.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -144.98 129.28 17.77 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.305 -0.872 . . . . 0.0 110.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -134.79 149.45 50.4 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.654 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.8 t -122.09 158.04 26.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.593 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.56 146.94 28.05 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.447 -178.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.8 p80 -48.69 -35.07 13.14 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.26 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.229 178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.4 51.97 0.67 Allowed Glycine 0 C--N 1.303 -1.251 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.559 ' O ' HD21 ' A' ' 69' ' ' LEU . 31.4 m-20 -128.18 140.5 51.88 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.287 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.459 HG23 HG21 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.96 155.88 20.36 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.075 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.527 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -126.78 105.26 8.54 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 178.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -111.37 138.63 47.62 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 108.592 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.716 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -146.11 144.32 29.92 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 118.398 -1.321 . . . . 0.0 110.595 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.723 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 52.7 t-80 -132.13 157.86 43.13 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.422 1.106 . . . . 0.0 109.971 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.723 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 67.2 m-85 -117.33 147.43 42.61 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-O 122.115 0.96 . . . . 0.0 111.539 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.539 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 8.4 t -176.5 130.08 0.2 Allowed 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 118.825 -1.15 . . . . 0.0 112.903 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.559 ' OD1' ' CB ' ' A' ' 14' ' ' LYS . 7.4 m-80 -150.7 167.49 27.2 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.355 0.597 . . . . 0.0 109.631 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.9 -26.21 68.68 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.353 -0.842 . . . . 0.0 109.098 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.73 8.64 1.52 Allowed 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.396 -0.921 . . . . 0.0 111.431 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.618 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.37 34.44 5.22 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.313 -1.492 . . . . 0.0 108.03 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.522 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . -92.4 50.25 1.59 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.249 -0.907 . . . . 0.0 110.168 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.526 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -153.95 -141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 120.993 -1.067 . . . . 0.0 113.168 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.579 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 3.7 mptt -43.48 -33.92 1.22 Allowed 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.196 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -36.61 -72.98 0.05 Allowed 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 122.239 1.019 . . . . 0.0 109.878 -178.337 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.677 ' HG2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -81.82 -27.33 33.67 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -49.99 -21.17 1.13 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 176.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -88.47 -46.96 8.7 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 104.298 -2.482 . . . . 0.0 104.298 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 89' ' ' ARG . 2.9 t -38.78 -51.43 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.668 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 tttp -60.39 -56.47 21.11 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.567 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 t70 -39.23 -24.3 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.778 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.548 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -89.4 -42.97 11.21 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.595 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 5.5 mt -41.06 -58.98 1.6 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.491 0.662 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.668 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.87 -1.43 11.73 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.622 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.96 -28.34 16.49 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.577 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.92 -26.06 17.76 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 121.355 -0.841 . . . . 0.0 109.237 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.637 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -42.13 -33.69 0.63 Allowed Pre-proline 0 C--N 1.305 -1.368 0 O-C-N 121.434 -0.791 . . . . 0.0 109.38 -178.076 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.4 Cg_exo -73.72 2.76 5.53 Favored 'Trans proline' 0 C--N 1.301 -1.942 0 O-C-N 124.476 1.777 . . . . 0.0 111.565 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.9 ttmt -89.96 -48.22 7.35 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.448 -0.782 . . . . 0.0 111.646 -177.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.637 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -106.81 -5.38 18.43 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.656 -0.652 . . . . 0.0 109.851 -177.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HG2' ' CE ' ' A' ' 51' ' ' LYS . 1.4 tptp -154.52 105.2 2.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.372 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -150.68 -81.59 0.11 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.354 -0.841 . . . . 0.0 109.402 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.89 -158.17 0.65 Allowed 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.936 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.98 155.38 18.4 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.24 -0.913 . . . . 0.0 109.418 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.305 -1.366 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.401 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' ALA . 2.8 ttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -43.28 115.79 0.82 Allowed 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.466 -0.772 . . . . 0.0 109.761 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -104.55 -90.96 0.38 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.386 -0.822 . . . . 0.0 109.748 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -42.3 -58.56 2.14 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.339 -0.851 . . . . 0.0 110.111 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -173.35 3.12 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.162 -0.961 . . . . 0.0 109.846 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 5.3 mp0 -115.97 163.19 16.27 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.76 164.73 4.47 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.103 -0.998 . . . . 0.0 110.215 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.53 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 p -98.01 154.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD23 ' CD1' ' A' ' 95' ' ' LEU . 9.2 tp -99.05 -55.38 2.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.681 -0.808 . . . . 0.0 113.117 -175.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 43.9 tp -159.06 149.99 19.98 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 119.501 -1.999 . . . . 0.0 111.792 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.641 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -121.36 129.86 75.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG21 ' CG2' ' A' ' 15' ' ' VAL . 3.3 m -127.41 131.98 69.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.951 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -80.83 -81.24 0.13 Allowed 'General case' 0 C--O 1.19 -2.027 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.042 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -49.87 115.01 1.21 Allowed 'General case' 0 C--N 1.267 -2.979 0 O-C-N 119.941 -1.724 . . . . 0.0 112.074 -177.55 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.774 ' HB ' ' O ' ' A' ' 22' ' ' GLY . 45.1 t -142.79 145.8 22.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.605 172.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -124.11 130.73 53.05 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.8 pt20 -136.95 135.73 37.95 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.5 mttt -36.17 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.817 -0.552 . . . . 0.0 111.727 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 ptpt -83.45 -55.13 4.48 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.288 -1.508 . . . . 0.0 110.406 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 23.3 mm100 -151.38 168.89 23.42 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.816 0.817 . . . . 0.0 111.456 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -105.9 127.77 53.35 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 101.155 -3.646 . . . . 0.0 101.155 176.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.774 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.06 166.78 36.47 Favored Glycine 0 C--N 1.297 -1.59 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.951 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 155.29 22.12 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.527 -1.572 . . . . 0.0 111.906 -176.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.666 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 3.8 mt -118.09 121.97 41.92 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.214 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.641 ' CE1' HG13 ' A' ' 11' ' ' ILE . 22.1 m-85 -110.21 124.77 52.19 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.598 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 10.3 tt -112.69 134.18 54.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 119.659 -1.901 . . . . 0.0 110.25 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.53 ' CE ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -109.88 153.39 24.53 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.62 -55.25 1.14 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.629 -0.67 . . . . 0.0 111.685 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 1.4 tt0 -103.29 18.17 22.39 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 120.254 -1.529 . . . . 0.0 112.313 -177.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.7 OUTLIER -163.85 166.86 21.43 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.005 -1.684 . . . . 0.0 112.636 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -114.44 146.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -138.31 146.4 42.37 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.574 -1.329 . . . . 0.0 112.254 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.868 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 11.6 t90 -113.64 146.63 39.47 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.923 0.868 . . . . 0.0 110.643 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.63 112.58 2.97 Favored Pre-proline 0 C--N 1.3 -1.574 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.604 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.1 Cg_endo -114.0 -153.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.358 0 O-C-N 124.036 1.545 . . . . 0.0 108.71 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -85.62 47.91 1.51 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.955 -1.091 . . . . 0.0 108.797 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.97 -137.61 0.06 OUTLIER Glycine 0 C--N 1.307 -1.054 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.39 43.93 2.73 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.188 -1.183 . . . . 0.0 110.095 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -160.32 -105.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.32 -50.45 0.15 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 33.3 m-85 -100.87 -175.89 3.02 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.236 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.62 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -154.98 -30.64 0.1 Allowed 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.527 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.706 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -145.0 151.06 15.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 120.88 -1.137 . . . . 0.0 110.6 -178.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.2 t -158.93 109.88 2.07 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.325 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.616 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.52 117.47 26.89 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 121.251 -0.905 . . . . 0.0 109.339 178.757 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.584 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.3 mtt -61.56 127.67 32.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' HB3' ' CD2' ' A' ' 103' ' ' PHE . 1.7 m-85 -46.07 -46.28 16.72 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.769 -1.207 . . . . 0.0 109.923 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -67.5 -28.13 67.58 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.988 -1.695 . . . . 0.0 108.337 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.584 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.7 m-20 -65.73 -4.89 7.19 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.687 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' TYR . 22.1 pt -142.53 136.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HD3' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -132.3 103.47 6.23 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.281 -2.137 . . . . 0.0 111.827 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.663 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 172.82 132.4 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.581 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 21.8 mp0 -143.83 131.36 21.11 Favored 'General case' 0 C--N 1.285 -2.215 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.154 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.07 113.25 4.89 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.588 ' CG2' ' CB ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -140.42 101.66 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 O-C-N 121.096 -1.002 . . . . 0.0 109.326 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.634 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -120.53 29.16 0.15 Allowed Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.433 -0.792 . . . . 0.0 110.605 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.741 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 2.4 Cg_endo -60.54 -8.18 8.49 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 116.361 -1.96 . . . . 0.0 111.978 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -18.78 27.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.762 -1.211 . . . . 0.0 107.802 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.07 24.65 2.39 Favored Glycine 0 CA--C 1.539 1.552 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 7.7 mmmt -92.74 -110.71 0.1 Allowed 'General case' 0 C--N 1.312 -1.05 0 O-C-N 120.671 -1.487 . . . . 0.0 110.433 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' C ' ' HD2' ' A' ' 62' ' ' LYS . . . -117.9 -47.91 2.58 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.099 -1.001 . . . . 0.0 109.016 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.91 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.79 25.27 0.01 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.009 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.91 ' CG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 112.25 80.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 120.347 1.43 . . . . 0.0 112.698 177.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 3.1 pt20 -123.91 134.46 53.53 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.589 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.15 167.21 15.72 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.616 -1.303 . . . . 0.0 109.899 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -148.79 137.66 21.44 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 120.862 -1.148 . . . . 0.0 111.402 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -137.59 150.7 47.64 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.663 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.9 t -126.66 158.78 36.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.127 -1.429 . . . . 0.0 110.81 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.762 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.77 140.79 30.06 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.514 -177.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.502 ' C ' ' O ' ' A' ' 69' ' ' LEU . 12.2 p80 -46.27 -31.91 2.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -69.18 -155.3 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.335 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.73 54.8 0.53 Allowed Glycine 0 C--N 1.293 -1.807 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.59 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 33.9 m-20 -135.89 130.56 34.0 Favored 'General case' 0 C--N 1.289 -2.052 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.325 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 68' ' ' VAL . 1.3 m -107.15 158.65 16.92 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.572 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -128.87 109.55 11.36 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 179.135 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -108.94 130.44 55.45 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.868 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -136.58 147.51 47.03 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.423 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.845 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 42.4 t-80 -148.91 164.79 33.47 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.89 1.329 . . . . 0.0 111.285 -177.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.845 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 65.5 m-85 -127.37 143.14 51.27 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.599 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 0.5 OUTLIER -168.89 124.38 0.91 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 119.209 -2.182 . . . . 0.0 109.382 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' CG ' ' OG1' ' A' ' 84' ' ' THR . 27.2 m120 -150.63 169.98 20.28 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.146 -0.971 . . . . 0.0 109.484 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -48.95 -48.13 43.27 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -150.47 16.56 0.81 Allowed 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.473 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.451 ' OG1' ' CG ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER -103.23 -0.06 30.94 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 120.404 -1.435 . . . . 0.0 109.485 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -91.58 75.44 5.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.053 -1.03 . . . . 0.0 108.726 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 15.9 m -153.53 -119.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 O-C-N 121.704 -0.623 . . . . 0.0 110.736 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -37.76 -65.54 0.32 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.48 -0.762 . . . . 0.0 111.477 -179.196 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -36.97 -72.68 0.06 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.752 0.787 . . . . 0.0 109.42 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' ' CD1' ' A' ' 79' ' ' PHE . 5.0 mmt180 -51.79 -38.05 54.0 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -58.88 -17.93 28.5 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -88.86 -39.59 13.72 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.533 ' CG2' ' CG1' ' A' ' 12' ' ' VAL . 37.8 t -55.39 -67.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.77 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.2 tttt -51.37 -38.75 54.92 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.585 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.4 t70 -52.21 -28.09 17.18 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.512 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.547 ' CD1' HD23 ' A' ' 9' ' ' LEU . 3.5 mm? -92.56 -48.13 6.77 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.992 -1.068 . . . . 0.0 109.359 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 5.9 mt -44.13 -68.42 0.2 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.494 -0.754 . . . . 0.0 112.482 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.77 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -58.36 -2.99 0.23 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.13 -0.981 . . . . 0.0 111.215 -178.637 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -98.44 -30.87 12.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.938 -1.101 . . . . 0.0 108.864 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -88.58 -35.23 17.01 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 18.8 mt -51.51 -34.35 13.61 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -71.81 -1.7 10.31 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.309 1.689 . . . . 0.0 110.744 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LEU . 80.2 tttt -91.73 -37.11 13.2 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.279 -0.888 . . . . 0.0 110.819 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.652 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -109.91 0.39 18.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.636 -178.196 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.55 ' CE ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -66.5 -170.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.477 ' O ' ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -124.53 133.79 53.2 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.214 -0.929 . . . . 0.0 109.853 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.11 24.98 0.17 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.285 -0.884 . . . . 0.0 109.462 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.61 89.56 5.4 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.223 -0.923 . . . . 0.0 109.443 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.9 -167.96 1.78 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.309 -0.869 . . . . 0.0 109.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 115.04 2.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.263 -0.898 . . . . 0.0 109.434 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -104.76 121.46 43.67 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.237 -0.914 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.77 -76.57 0.34 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.198 -0.939 . . . . 0.0 109.586 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HG3' ' CE ' ' A' ' 27' ' ' MET . 2.5 pm0 -71.76 162.66 29.12 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.209 -0.932 . . . . 0.0 110.1 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.05 113.13 19.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 26' ' ' LEU . 2.5 p -98.74 154.65 3.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 120.127 -1.608 . . . . 0.0 108.911 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 95' ' ' LEU . 13.6 tp -99.24 -48.53 4.79 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.589 -0.844 . . . . 0.0 113.116 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 tp -158.04 167.6 29.43 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 119.377 -2.077 . . . . 0.0 111.342 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.663 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -139.09 137.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG12 ' NH1' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -124.29 96.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 122.266 1.031 . . . . 0.0 109.966 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.95 -18.66 3.67 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.979 0.895 . . . . 0.0 111.113 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.6 tptp -115.18 118.61 33.82 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.638 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.752 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 11.5 t -150.37 146.43 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 C-N-CA 117.878 -1.529 . . . . 0.0 108.858 174.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.58 127.49 50.96 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.877 -177.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.639 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 1.5 pt20 -132.8 132.5 42.26 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.26 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.987 -0.446 . . . . 0.0 110.976 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 17' ' ' GLN . 15.5 ptmt -80.12 -54.82 5.41 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.594 -1.316 . . . . 0.0 110.088 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.546 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 16.7 mm-40 -151.37 168.49 24.65 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.744 0.783 . . . . 0.0 110.927 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -106.12 130.54 54.0 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 101.019 -3.697 . . . . 0.0 101.019 176.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.85 166.05 36.02 Favored Glycine 0 C--N 1.292 -1.909 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.536 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 132.56 34.35 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.994 1.378 . . . . 0.0 110.183 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.752 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.27 132.87 53.24 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.178 -176.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.663 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 9.5 m-85 -109.85 139.19 45.21 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.581 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -113.0 133.54 54.91 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 119.807 -1.808 . . . . 0.0 107.58 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.552 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 6.0 ttt -126.03 140.42 52.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -39.89 -58.26 1.42 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.775 0.798 . . . . 0.0 109.057 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tp10 -86.93 -10.03 54.26 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -175.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.64 163.75 36.63 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 119.216 -2.177 . . . . 0.0 112.686 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.592 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 2.0 mm -110.79 136.06 47.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' HG22 ' A' ' 43' ' ' ILE . . . -123.21 147.26 47.07 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 120.971 -1.081 . . . . 0.0 110.728 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.749 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 17.4 t90 -124.98 140.66 52.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.37 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.09 120.98 3.62 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.927 -0.483 . . . . 0.0 109.99 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.597 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 3.2 Cg_endo -112.16 -60.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.728 1.383 . . . . 0.0 110.38 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.45 171.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.386 -0.821 . . . . 0.0 109.805 -179.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 38' ' ' LYS . . . -97.44 -31.16 6.92 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -53.9 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.237 -1.155 . . . . 0.0 109.135 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -77.65 60.74 2.23 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 120.907 -1.12 . . . . 0.0 109.184 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -20.52 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.818 0.818 . . . . 0.0 111.541 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' ARG . 23.5 m-85 -44.94 115.73 0.95 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 121.926 0.87 . . . . 0.0 110.055 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.62 HG22 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -116.04 -15.49 11.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.409 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.749 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.25 159.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.112 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 9.5 t -168.07 101.87 0.45 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.287 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.59 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -109.9 121.89 46.28 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.004 -1.06 . . . . 0.0 109.659 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.505 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 5.6 mtt -69.91 108.73 4.13 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.011 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 2.1 m-30 -39.48 -46.08 1.64 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.728 -0.608 . . . . 0.0 110.368 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.16 79.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 119.43 -2.043 . . . . 0.0 107.809 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.681 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 5.8 m-20 -48.09 -33.89 8.87 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.67 ' HB ' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -113.0 160.19 12.65 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.32 -177.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -150.19 103.66 3.19 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 119.246 -2.159 . . . . 0.0 113.382 -179.545 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.675 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.12 137.13 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.565 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . 3.3 mm-40 -143.61 128.24 18.12 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 117.745 -1.582 . . . . 0.0 111.273 -177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -131.97 112.94 12.83 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.404 -1.271 . . . . 0.0 107.655 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.528 ' CD1' ' HB2' ' A' ' 65' ' ' LEU . 4.1 mm -142.84 100.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 C-N-CA 118.345 -1.342 . . . . 0.0 110.3 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.675 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -119.68 23.68 0.1 Allowed Pre-proline 0 C--N 1.298 -1.652 0 O-C-N 121.618 -0.676 . . . . 0.0 110.665 178.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.723 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 1.9 Cg_endo -78.7 55.13 5.39 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 114.541 -3.172 . . . . 0.0 112.27 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.84 -31.88 10.95 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.96 38.01 1.38 Allowed Glycine 0 CA--C 1.534 1.277 0 N-CA-C 106.684 -2.566 . . . . 0.0 106.684 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -102.68 -174.77 2.64 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.334 -1.098 . . . . 0.0 112.638 -176.267 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -36.75 -69.27 0.12 Allowed 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.838 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.793 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -166.37 34.05 0.04 OUTLIER 'General case' 0 C--O 1.201 -1.497 0 C-N-CA 118.389 -1.324 . . . . 0.0 112.648 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.793 ' CD1' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 103.08 61.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 CA-C-N 120.444 1.474 . . . . 0.0 112.89 177.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -108.59 132.46 53.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 119.638 -1.914 . . . . 0.0 111.918 -177.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.613 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -118.19 161.0 20.6 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.887 -1.133 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.6 tt0 -150.21 132.85 15.82 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-O 121.662 0.744 . . . . 0.0 110.354 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.89 155.35 45.52 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -178.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.675 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.4 t -131.05 157.7 43.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 123.1 1.428 . . . . 0.0 110.89 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.81 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.86 145.55 25.07 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 113.65 -1.614 . . . . 0.0 109.418 -176.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 8.3 p80 -48.92 -27.84 3.39 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.74 -154.3 0.08 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.5 53.16 0.6 Allowed Glycine 0 C--N 1.296 -1.651 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.605 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 4.9 m-20 -129.05 131.26 47.32 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.518 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.69 165.07 11.7 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.584 HG23 ' CE1' ' A' ' 45' ' ' HIS . 1.9 m -132.32 106.63 8.03 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.478 ' OD1' ' HG3' ' A' ' 66' ' ' GLN . 1.5 m-80 -111.59 136.98 50.05 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.795 -1.191 . . . . 0.0 107.847 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.697 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -148.97 147.54 28.72 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 117.695 -1.602 . . . . 0.0 111.312 -179.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.645 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 64.3 t-80 -137.44 163.3 31.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.266 1.031 . . . . 0.0 109.805 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.759 ' O ' HD11 ' A' ' 63' ' ' ILE . 6.9 m-85 -136.87 134.56 36.99 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.59 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -177.62 151.59 0.74 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 117.738 -3.101 . . . . 0.0 111.096 175.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 80' ' ' SER . 3.2 m-80 -150.89 176.23 11.28 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -81.49 6.28 15.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 108.416 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.88 -32.96 0.16 Allowed 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.327 -0.858 . . . . 0.0 111.589 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.659 ' O ' ' N ' ' A' ' 86' ' ' VAL . 4.9 m -88.84 -31.39 18.32 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.729 -1.232 . . . . 0.0 111.861 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -46.83 77.72 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.282 -0.886 . . . . 0.0 112.081 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.659 ' N ' ' O ' ' A' ' 84' ' ' THR . 1.9 t -152.68 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 121.54 0.686 . . . . 0.0 111.58 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.3 mttt -52.12 -42.98 63.75 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 121.469 -0.769 . . . . 0.0 111.775 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 84' ' ' THR . 0.9 OUTLIER -38.38 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.638 1.208 . . . . 0.0 110.238 -179.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.627 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.3 mmt180 -56.54 -42.55 78.69 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -58.34 -11.58 2.92 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.969 178.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' LYS . . . -95.02 -37.61 11.04 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.992 -1.067 . . . . 0.0 108.64 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.695 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -65.18 -40.89 90.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 177.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.703 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -67.23 -40.48 86.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.606 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 50.5 t0 -55.57 -22.07 20.23 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.523 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.6 mm? -91.22 -44.95 8.91 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.585 ' CD1' ' HG ' ' A' ' 65' ' ' LEU . 12.9 mt -36.96 -68.94 0.13 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.764 0.792 . . . . 0.0 111.115 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.703 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.25 -0.81 0.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.695 -0.628 . . . . 0.0 111.636 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.22 -28.89 12.4 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.229 -0.919 . . . . 0.0 108.871 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.567 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -87.17 -35.76 18.41 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.34 -0.85 . . . . 0.0 109.116 179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.62 ' N ' ' HD2' ' A' ' 101' ' ' PRO . 0.3 OUTLIER -43.13 -40.43 5.43 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 42.8 Cg_exo -60.38 -38.06 77.27 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 O-C-N 124.505 1.792 . . . . 0.0 110.454 178.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.1 tttt -48.9 -49.08 41.61 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.419 0.628 . . . . 0.0 111.197 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 1.5 p90 -115.75 -0.13 13.02 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.461 -0.774 . . . . 0.0 109.84 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' CE ' ' HD3' ' A' ' 51' ' ' LYS . 1.2 mtpm? -149.74 99.01 2.82 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.251 -0.906 . . . . 0.0 109.319 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -114.09 -57.28 2.3 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 134.9 33.49 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.211 -0.931 . . . . 0.0 109.427 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.71 -12.04 46.46 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.254 -0.904 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.304 -1.372 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.393 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.73 -79.81 0.49 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.233 -0.917 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 t -77.94 146.69 35.36 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.223 -0.923 . . . . 0.0 109.438 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' SER . 0.6 OUTLIER -87.16 -35.76 18.42 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.229 -0.919 . . . . 0.0 109.681 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -54.39 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 5.1 mp0 -119.45 156.16 30.7 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -104.55 163.43 12.47 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.609 -1.307 . . . . 0.0 108.065 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.583 ' CG1' ' CE ' ' A' ' 27' ' ' MET . 1.7 m -98.42 154.68 3.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 120.601 -1.312 . . . . 0.0 109.02 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 9' ' ' LEU . 15.0 tp -99.19 -54.21 3.03 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.632 -0.827 . . . . 0.0 112.563 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 163.54 37.89 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 119.517 -1.989 . . . . 0.0 112.173 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.649 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.35 143.07 30.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 121.63 0.728 . . . . 0.0 110.384 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.563 ' CG1' HG21 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -123.46 128.66 74.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.7 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.46 -81.63 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.838 0 O-C-N 120.953 -1.092 . . . . 0.0 113.551 -175.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -109.22 104.1 13.19 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 118.884 -2.385 . . . . 0.0 115.086 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.558 ' CG2' HG21 ' A' ' 12' ' ' VAL . 93.0 t -106.12 166.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -119.6 137.67 53.71 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.669 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 10.1 pt20 -141.68 148.28 38.84 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.82 -19.97 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.325 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.603 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 6.0 ptmm? -101.77 -53.9 2.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.106 -1.621 . . . . 0.0 111.379 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.37 168.89 23.39 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.942 0.877 . . . . 0.0 111.213 -173.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.485 ' CG ' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.58 134.29 48.94 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 177.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' HA3' ' NE1' ' A' ' 33' ' ' TRP . . . -161.09 166.12 35.57 Favored Glycine 0 C--N 1.29 -2.021 0 N-CA-C 106.946 -2.462 . . . . 0.0 106.946 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.7 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.73 146.56 28.95 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.947 -1.913 . . . . 0.0 108.54 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.654 ' CD1' ' CG ' ' A' ' 77' ' ' PHE . 1.2 mt -108.71 123.64 49.31 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.684 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.649 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 3.5 m-85 -109.89 137.11 48.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 99' ' ' LEU . 15.7 tp -118.68 136.01 54.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 119.56 -1.962 . . . . 0.0 107.382 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.583 ' CE ' ' CG1' ' A' ' 8' ' ' VAL . 2.5 ttm -119.35 155.62 31.57 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.52 -55.62 1.08 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.656 -0.652 . . . . 0.0 111.207 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -108.21 9.71 28.03 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 120.172 -1.58 . . . . 0.0 112.463 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -155.65 165.6 36.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 119.275 -2.14 . . . . 0.0 112.754 -179.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.595 HG21 ' CD2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -115.98 125.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -109.78 152.63 25.45 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.294 -0.879 . . . . 0.0 109.953 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.748 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 28.4 t90 -136.48 141.1 43.47 Favored 'General case' 0 C--O 1.199 -1.598 0 O-C-N 121.421 -0.799 . . . . 0.0 109.704 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.601 ' CB ' ' HA ' ' A' ' 41' ' ' PHE . . . -150.99 123.87 4.17 Favored Pre-proline 0 C--N 1.296 -1.719 0 C-N-CA 119.408 -0.917 . . . . 0.0 112.02 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.582 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.7 Cg_endo -98.19 -60.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.653 0 O-C-N 123.897 1.472 . . . . 0.0 108.57 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 35' ' ' PRO . 4.1 mt-10 -155.59 89.29 1.17 Allowed 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.432 -0.792 . . . . 0.0 109.173 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.83 -160.34 8.4 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 -21.62 8.39 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.295 -1.12 . . . . 0.0 109.803 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.1 m-20 -73.99 159.06 33.25 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' NH1' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -42.26 -31.78 0.43 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 122.288 1.042 . . . . 0.0 108.845 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.601 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -156.79 -166.04 2.01 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.806 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 33' ' ' TRP . 1.8 t -103.12 -33.35 9.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.755 -0.591 . . . . 0.0 109.453 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.572 ' N ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -146.65 168.26 6.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 O-C-N 121.043 -1.036 . . . . 0.0 109.593 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 43' ' ' ILE . 3.3 p -157.47 119.53 3.78 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CD2' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -114.59 123.36 49.15 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.98 -1.075 . . . . 0.0 110.158 -179.416 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.518 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -67.16 109.16 2.94 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.614 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 1.9 m-30 -40.74 -42.87 1.86 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.538 -0.727 . . . . 0.0 109.951 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 50' ' ' ILE . . . -67.26 -46.22 74.35 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.334 -1.479 . . . . 0.0 108.047 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.518 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.8 m-20 -45.26 -29.8 1.08 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.612 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 2.8 pp -112.93 160.94 12.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.347 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -147.29 102.84 3.52 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 116.868 -1.933 . . . . 0.0 110.72 176.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.628 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.5 127.92 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.546 ' HG2' ' CD2' ' A' ' 100' ' ' LEU . 28.3 mp0 -143.51 127.19 17.07 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 117.813 -1.555 . . . . 0.0 111.246 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -147.36 113.79 5.95 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.557 ' CG2' ' HB2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -142.63 101.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 120.992 -1.067 . . . . 0.0 109.837 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.658 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -120.74 25.56 0.12 Allowed Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.215 -0.928 . . . . 0.0 111.277 178.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.742 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 1.2 Cg_endo -64.14 -4.05 7.08 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 116.281 -2.013 . . . . 0.0 112.255 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 17.8 tp10 -62.22 -13.93 32.89 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.728 -1.233 . . . . 0.0 108.193 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.89 21.72 2.14 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.1 mmpt? -103.73 -170.84 1.84 Allowed 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.751 -1.441 . . . . 0.0 112.418 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -38.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.382 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.909 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -169.21 29.79 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.886 0 CA-C-O 116.725 -1.607 . . . . 0.0 111.857 178.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.909 ' CG2' ' O ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER 113.14 81.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.8 1.636 . . . . 0.0 112.198 177.733 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.521 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -132.15 140.22 48.68 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 178.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.595 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -129.34 162.45 27.95 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.741 -1.224 . . . . 0.0 109.717 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.518 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -142.83 120.26 11.67 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.762 0.791 . . . . 0.0 110.904 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.612 ' CD2' ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -127.69 152.08 48.16 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.326 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.628 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.4 t -131.31 157.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 C-N-CA 117.22 -1.792 . . . . 0.0 112.252 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.781 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -91.38 145.08 24.93 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.484 -176.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 93.1 m-70 -45.35 -32.41 2.04 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -74.93 -153.87 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.431 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.96 50.56 0.76 Allowed Glycine 0 C--N 1.299 -1.476 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.593 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 44.0 m-20 -128.64 127.78 42.87 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.488 -0.931 . . . . 0.0 108.488 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 10.5 m -108.68 160.26 16.08 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -118.5 115.46 24.66 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.518 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 76.1 m-20 -115.26 122.14 45.04 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.748 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -129.62 144.56 51.33 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.689 -1.604 . . . . 0.0 109.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.773 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 50.3 t-80 -148.85 142.96 25.96 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.575 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.773 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -117.73 141.65 48.16 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.065 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.66 ' N ' ' CB ' ' A' ' 85' ' ' ALA . 5.7 t -128.65 -55.35 1.23 Allowed 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 122.008 2.186 . . . . 0.0 114.664 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -29.2 91.99 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.168 0.509 . . . . 0.0 110.939 -176.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' SER . 2.5 tm-20 -35.28 -42.74 0.2 Allowed 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.562 -0.711 . . . . 0.0 110.893 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -65.49 -38.22 89.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 110.153 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.2 p -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.139 -0.976 . . . . 0.0 110.841 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.66 ' CB ' ' N ' ' A' ' 80' ' ' SER . . . -90.92 79.73 5.86 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.084 -1.01 . . . . 0.0 113.573 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -149.43 -112.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.068 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.704 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.3 tttt -54.1 -65.12 0.63 Allowed 'General case' 0 C--O 1.205 -1.245 0 O-C-N 120.615 -1.303 . . . . 0.0 111.297 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -35.56 -67.1 0.17 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.991 -1.068 . . . . 0.0 110.655 -178.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HG2' ' OE1' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -58.97 -29.82 67.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.2 t0 -61.73 -16.33 48.35 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -87.71 -30.25 20.49 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.563 HG21 ' CG1' ' A' ' 12' ' ' VAL . 42.4 t -59.07 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.746 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -46.52 -36.96 7.28 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.587 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 33.6 t0 -52.97 -30.59 35.82 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 99' ' ' LEU . 3.2 mm? -92.82 -42.87 9.3 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.313 -0.867 . . . . 0.0 109.104 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 12.9 mt -43.1 -68.09 0.22 Allowed 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.614 -0.679 . . . . 0.0 112.022 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.746 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -61.51 -0.99 0.47 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.616 -1.303 . . . . 0.0 110.85 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.444 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -90.94 -39.75 12.09 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.047 -1.033 . . . . 0.0 108.504 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.592 ' O ' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -82.5 -26.6 32.41 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.248 -0.908 . . . . 0.0 108.952 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.6 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 20.7 mt -56.48 -37.17 54.57 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.6 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 38.1 Cg_exo -69.97 -4.18 13.65 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.203 1.633 . . . . 0.0 110.623 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -85.93 -29.73 23.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 110.389 -179.104 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -122.49 1.33 9.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.229 -0.92 . . . . 0.0 109.802 -178.156 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' HD2' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.49 -178.92 3.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.252 -0.905 . . . . 0.0 109.265 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -88.58 78.78 7.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.199 -0.938 . . . . 0.0 109.154 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.67 110.93 22.27 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.5 49.67 0.84 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.307 -0.871 . . . . 0.0 109.37 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.305 -1.348 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.433 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -139.41 -162.82 1.38 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -46.39 -53.3 11.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.28 -0.887 . . . . 0.0 109.466 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -48.35 132.16 16.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -118.85 -143.33 0.36 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.273 -0.892 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 5.5 mp0 -62.54 162.19 10.79 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.008 -1.057 . . . . 0.0 109.409 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.59 112.34 19.2 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.453 -0.779 . . . . 0.0 109.0 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' A' ' 27' ' ' MET . 2.6 m -98.84 155.28 3.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 120.596 -1.315 . . . . 0.0 109.679 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 15.6 tp -98.72 -50.14 4.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.067 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.531 ' CD2' HG21 ' A' ' 92' ' ' VAL . 5.0 tt -159.1 148.17 18.49 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.46 -2.025 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.23 150.37 21.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-O 122.823 1.297 . . . . 0.0 111.117 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' CG1' ' NH1' ' A' ' 89' ' ' ARG . 35.8 m -134.84 113.52 16.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -59.23 -18.19 34.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.866 179.306 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.608 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 1.1 tptt -117.7 122.01 42.37 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.988 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.709 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 22.7 t -151.49 151.88 11.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -123.42 130.75 53.16 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-O 121.73 0.776 . . . . 0.0 109.575 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' A' ' 19' ' ' LYS . 16.3 pt20 -137.06 131.0 32.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.68 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.682 -0.636 . . . . 0.0 111.402 -174.168 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.648 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -74.96 -57.45 3.89 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.614 -1.304 . . . . 0.0 110.15 178.259 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.648 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 7.9 tt0 -152.14 168.59 24.83 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.71 -0.619 . . . . 0.0 109.8 -173.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -105.77 128.48 53.73 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 176.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.57 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.52 165.65 35.65 Favored Glycine 0 C--N 1.294 -1.779 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.31 136.24 33.99 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 123.147 1.451 . . . . 0.0 111.7 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.709 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.4 mt -107.68 131.78 54.03 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.02 -176.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.713 ' HA ' HD12 ' A' ' 11' ' ' ILE . 30.9 m-85 -111.47 131.5 55.17 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.385 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 2.6 tt -109.99 128.53 55.45 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.521 ' CE ' ' HB3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -118.1 153.15 34.25 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.16 -55.68 0.96 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.982 -0.449 . . . . 0.0 110.985 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.2 tt0 -105.92 5.15 30.3 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.357 -1.464 . . . . 0.0 112.406 -177.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.554 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -158.83 165.57 33.92 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 119.12 -2.237 . . . . 0.0 113.423 -179.239 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.587 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.2 mm -108.87 136.67 43.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HA ' HG23 ' A' ' 43' ' ' ILE . . . -125.18 150.24 47.15 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.958 -1.089 . . . . 0.0 111.118 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.802 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 21.9 t90 -123.61 143.92 49.92 Favored 'General case' 0 C--O 1.193 -1.872 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.29 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.607 ' CB ' ' HA ' ' A' ' 41' ' ' PHE . . . -150.56 165.24 17.86 Favored Pre-proline 0 C--N 1.295 -1.768 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.652 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.488 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo -108.0 -162.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.81 1.427 . . . . 0.0 108.84 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 83.5 2.16 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.945 -1.097 . . . . 0.0 109.371 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.1 -58.32 0.01 OUTLIER Glycine 0 CA--C 1.532 1.114 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -96.88 -172.74 2.53 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.123 -1.222 . . . . 0.0 109.975 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.88 48.07 1.28 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.381 -0.825 . . . . 0.0 109.502 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 7.4 ptm180 -157.34 -139.66 0.07 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.33 -0.856 . . . . 0.0 108.914 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CD1' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -126.0 177.73 6.17 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 123.404 1.573 . . . . 0.0 112.257 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -125.61 2.18 7.56 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 113.204 -1.817 . . . . 0.0 106.773 178.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.802 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -154.55 154.3 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 121.551 -0.718 . . . . 0.0 109.821 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 p -162.66 101.95 1.04 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.039 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.81 115.45 29.85 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.122 -0.986 . . . . 0.0 109.363 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.41 115.26 4.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.492 -0.755 . . . . 0.0 109.496 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.701 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 1.4 m-30 -39.86 -43.69 1.51 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.808 -0.558 . . . . 0.0 109.871 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.74 -42.5 86.14 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 120.107 -1.62 . . . . 0.0 107.68 177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.1 m-20 -62.12 -5.47 2.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.652 177.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.569 ' O ' ' O ' ' A' ' 47' ' ' TYR . 1.3 mt -131.69 140.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -147.22 103.04 3.55 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 116.373 -2.131 . . . . 0.0 111.145 175.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.629 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER 172.68 121.74 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 176.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.581 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -143.5 120.8 11.57 Favored 'General case' 0 C--N 1.279 -2.492 0 C-N-CA 116.978 -1.889 . . . . 0.0 111.805 -177.352 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' C ' ' CD1' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.34 112.65 14.67 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.055 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 1.3 mp -115.58 102.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 118.677 -1.209 . . . . 0.0 109.384 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.821 ' N ' ' HD3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -120.24 80.04 27.9 Favored Pre-proline 0 C--N 1.303 -1.441 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.724 178.35 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.821 ' HD3' ' N ' ' A' ' 56' ' ' SER . 4.6 Cg_endo -141.1 20.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.895 0 C-N-CA 115.046 -2.836 . . . . 0.0 110.59 175.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -78.19 -30.02 48.79 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.22 -0.925 . . . . 0.0 108.964 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -143.74 44.63 0.92 Allowed Glycine 0 C--N 1.3 -1.462 0 N-CA-C 106.724 -2.551 . . . . 0.0 106.724 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 56' ' ' SER . 1.8 mmtp -116.4 -169.0 1.53 Allowed 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.235 -1.156 . . . . 0.0 112.595 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.522 ' C ' ' CD ' ' A' ' 62' ' ' LYS . . . -36.62 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.606 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.82 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -172.53 52.78 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.831 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.959 177.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.82 ' CG2' ' O ' ' A' ' 62' ' ' LYS 0.335 1.0 OUTLIER 81.94 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 120.962 1.71 . . . . 0.0 114.204 -179.602 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.492 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -131.78 141.66 49.54 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.411 -1.268 . . . . 0.0 107.897 177.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.584 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.27 166.82 20.36 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.543 -1.348 . . . . 0.0 111.178 -179.575 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -142.08 134.88 28.53 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.826 0.822 . . . . 0.0 110.726 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 50' ' ' ILE . 1.1 tp -141.6 137.97 32.28 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.629 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 1.8 t -119.25 159.05 20.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-O 122.855 1.312 . . . . 0.0 110.548 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.786 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -93.02 144.55 25.14 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.94 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 4.5 p80 -45.65 -31.24 1.83 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -72.18 -149.35 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.04 51.13 0.73 Allowed Glycine 0 C--N 1.297 -1.633 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.564 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.47 135.31 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.634 -178.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.508 HG21 ' CG2' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.26 154.46 21.75 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.774 -0.771 . . . . 0.0 109.082 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 45' ' ' HIS . 1.6 m -123.82 112.0 16.78 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -109.42 135.69 50.04 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.695 -1.253 . . . . 0.0 108.636 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.747 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -140.56 151.33 44.63 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.412 -1.315 . . . . 0.0 110.613 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.705 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.2 t-80 -143.97 151.69 40.09 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.278 1.037 . . . . 0.0 110.096 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.705 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 62.9 m-85 -108.84 148.9 29.89 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 122.186 0.993 . . . . 0.0 111.115 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -177.12 110.83 0.08 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 118.84 -1.144 . . . . 0.0 112.794 177.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.608 ' ND2' ' CG ' ' A' ' 14' ' ' LYS . 3.7 m120 -138.28 165.95 25.42 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 83' ' ' SER . 9.8 pt-20 -47.39 -28.46 2.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.214 -0.928 . . . . 0.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -150.64 18.89 0.81 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 118.694 -1.202 . . . . 0.0 112.806 -179.229 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.639 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.9 OUTLIER -119.21 30.22 7.25 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 119.818 -1.801 . . . . 0.0 108.129 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . -92.87 46.8 1.24 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.896 -1.128 . . . . 0.0 109.851 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.86 -141.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 121.042 -1.036 . . . . 0.0 111.624 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.597 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -51.86 -16.55 0.73 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.474 0.654 . . . . 0.0 110.356 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.531 ' HB2' HG22 ' A' ' 84' ' ' THR . 1.0 OUTLIER -57.21 -73.67 0.06 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.462 1.125 . . . . 0.0 108.39 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.674 ' HG3' ' HB3' ' A' ' 79' ' ' PHE . 1.4 mmp_? -70.09 -34.05 72.67 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.597 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.3 t0 -42.24 -49.15 5.0 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -57.41 -54.77 43.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 176.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 10' ' ' LEU . 38.5 t -40.3 -54.48 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.651 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -49.74 -51.05 41.74 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.639 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 5.6 t0 -39.92 -62.86 0.66 Allowed 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.1 mt -41.55 -56.45 2.56 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.619 ' CA ' HD12 ' A' ' 99' ' ' LEU . 12.1 mt -38.14 -68.1 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.444 0.64 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.73 -1.34 6.8 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 118.989 -1.084 . . . . 0.0 110.372 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.13 -36.03 15.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -88.1 -25.08 23.2 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 121.126 -0.984 . . . . 0.0 108.449 178.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.667 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -43.04 -36.12 1.54 Allowed Pre-proline 0 C--N 1.302 -1.498 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -177.013 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.0 Cg_exo -75.05 4.36 4.84 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 O-C-N 124.575 1.829 . . . . 0.0 111.809 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 99' ' ' LEU . 4.8 tttt -98.75 -42.98 6.96 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 112.24 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -69.52 -6.6 31.8 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.785 -1.197 . . . . 0.0 110.08 -175.586 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -171.05 3.25 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.459 ' NH1' ' CG ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -100.68 -162.29 0.93 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 119.567 -1.958 . . . . 0.0 108.854 179.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -134.51 21.29 3.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.044 -1.035 . . . . 0.0 109.326 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.06 -43.64 5.7 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.289 -0.882 . . . . 0.0 109.428 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.305 -1.347 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.441 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.59 -72.55 0.17 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' SER . 5.7 t -90.47 26.84 1.86 Allowed 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.238 -0.914 . . . . 0.0 109.544 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -45.86 96.46 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.524 -0.735 . . . . 0.0 109.355 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.6 m -96.63 -146.46 0.29 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.435 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.62 162.62 20.64 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.213 -0.929 . . . . 0.0 109.723 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.12 112.09 18.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.72 154.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 O-C-N 120.361 -1.462 . . . . 0.0 109.103 -177.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 95' ' ' LEU . 20.9 tp -98.67 -31.01 12.14 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.482 -0.887 . . . . 0.0 113.0 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 6.2 tt -177.4 150.39 0.7 Allowed 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.133 -2.229 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.676 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -131.03 137.11 56.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.497 HG21 HG21 ' A' ' 92' ' ' VAL . 1.3 m -127.27 123.4 61.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.946 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.61 -82.0 0.03 OUTLIER 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 117.971 -1.492 . . . . 0.0 108.993 -178.651 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' HG22 ' A' ' 15' ' ' VAL . 1.4 mptt -48.6 117.59 2.1 Favored 'General case' 0 C--N 1.274 -2.698 0 O-C-N 120.035 -1.666 . . . . 0.0 112.03 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.739 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 55.9 t -146.11 144.7 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-O 122.174 0.988 . . . . 0.0 108.55 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.78 135.99 54.93 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.4 pt20 -143.51 133.89 24.68 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.14 -25.15 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.727 -173.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -76.19 -58.9 3.01 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.696 -1.252 . . . . 0.0 109.521 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.619 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.74 169.23 22.71 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.743 0.782 . . . . 0.0 110.925 -174.651 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 m-20 -105.67 132.62 51.59 Favored 'General case' 0 C--N 1.293 -1.878 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.605 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.89 166.4 36.19 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -174.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.946 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.74 133.51 34.36 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.922 1.344 . . . . 0.0 110.482 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.739 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.54 133.87 52.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.832 -175.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.676 ' CE1' HG13 ' A' ' 11' ' ' ILE . 16.1 m-85 -112.26 139.03 48.15 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 8.5 tt -118.42 136.91 53.5 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 119.779 -1.826 . . . . 0.0 108.399 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.514 ' HE1' ' CD ' ' A' ' 30' ' ' ARG . 3.4 ttp -134.32 139.67 45.84 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.56 -55.91 1.07 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.625 -0.672 . . . . 0.0 110.465 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -85.21 -16.13 41.3 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.33 -175.284 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.01 163.35 37.84 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.607 -1.933 . . . . 0.0 112.33 179.549 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.584 HG21 ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.0 129.26 68.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' O ' ' CD2' ' A' ' 24' ' ' LEU . . . -110.06 160.06 16.77 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.233 -0.917 . . . . 0.0 111.017 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.684 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 21.2 t90 -139.58 144.93 38.0 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.999 0.904 . . . . 0.0 110.403 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.14 119.06 3.39 Favored Pre-proline 0 C--N 1.293 -1.869 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.471 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 5.3 Cg_endo -104.47 -158.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.934 1.491 . . . . 0.0 109.215 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -86.72 34.05 0.65 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.106 -0.996 . . . . 0.0 109.687 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . -62.91 -118.42 0.01 OUTLIER Glycine 0 C--O 1.215 -1.041 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -157.67 60.62 0.48 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.067 -1.255 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -161.22 -130.87 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -127.07 -48.7 1.46 Allowed 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CE2' ' CD2' ' A' ' 25' ' ' TYR . 39.0 m-85 -113.12 -174.65 2.5 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.327 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.619 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -140.74 -40.83 0.41 Allowed 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.632 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 3.5 pt -151.56 173.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.669 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.9 m -166.82 109.28 0.7 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.632 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.53 128.92 55.54 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.868 -1.145 . . . . 0.0 110.539 -178.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.1 mpp? -73.13 108.86 6.25 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.694 ' CE2' HD11 ' A' ' 99' ' ' LEU . 11.8 m-85 -30.81 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.665 -0.647 . . . . 0.0 112.29 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -65.88 -45.52 81.75 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 120.154 -1.591 . . . . 0.0 108.282 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 46' ' ' MET . 0.9 OUTLIER -66.08 -5.99 11.61 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.61 ' CD1' ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -123.5 105.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HE3' ' CA ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -130.52 103.33 6.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 115.9 -2.32 . . . . 0.0 113.526 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.658 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.41 140.36 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 176.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.523 ' NE2' ' HG ' ' A' ' 100' ' ' LEU . 2.5 mt-30 -142.42 120.81 12.38 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 117.031 -1.868 . . . . 0.0 111.173 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -119.79 113.44 20.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.314 -1.766 . . . . 0.0 108.291 -178.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.532 ' CG2' ' HD2' ' A' ' 93' ' ' LYS . 8.9 mm -126.85 101.46 7.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.647 -1.283 . . . . 0.0 109.702 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.67 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -119.55 9.41 0.07 OUTLIER Pre-proline 0 C--N 1.303 -1.437 0 O-C-N 121.481 -0.762 . . . . 0.0 111.893 179.322 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 56' ' ' SER . 2.8 Cg_endo -64.81 -5.52 10.68 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 114.82 -2.987 . . . . 0.0 111.582 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -15.74 58.39 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 108.359 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.57 21.98 2.71 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 7.7 mmmt -87.87 -121.58 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.078 -1.248 . . . . 0.0 108.431 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.559 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -128.33 -20.06 3.76 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.672 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -158.6 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.1 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.798 HG12 ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -151.58 84.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-O 122.836 1.303 . . . . 0.0 114.378 -177.183 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.542 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -109.09 124.58 51.0 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 119.727 -1.858 . . . . 0.0 108.067 178.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.33 166.2 11.71 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.154 -0.966 . . . . 0.0 110.701 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -143.43 134.96 26.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 121.145 -0.972 . . . . 0.0 111.012 -179.401 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.1 tt -136.88 134.79 37.23 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.658 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.2 t -109.84 157.11 10.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 C-N-CA 117.583 -1.647 . . . . 0.0 110.834 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.2 mm? -84.4 147.68 27.0 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.006 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 31.6 m-70 -47.35 -38.43 12.96 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.24 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.376 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.36 52.34 0.65 Allowed Glycine 0 C--N 1.3 -1.449 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.56 ' O ' HD21 ' A' ' 69' ' ' LEU . 9.0 t0 -128.8 142.22 51.05 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.527 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.519 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.2 OUTLIER -108.41 158.79 17.2 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.01 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 18.6 m -132.58 104.24 6.57 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -109.77 145.75 36.13 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.842 -1.161 . . . . 0.0 109.078 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.684 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -150.61 142.64 23.99 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.412 1.101 . . . . 0.0 110.36 179.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.672 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 52.2 t-80 -144.61 166.74 24.33 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.735 -175.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.69 ' CG ' ' HG2' ' A' ' 89' ' ' ARG . 0.8 OUTLIER -147.81 144.16 27.99 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.577 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . 5.7 t -177.66 141.03 0.27 Allowed 'General case' 0 C--O 1.215 -0.715 0 O-C-N 119.539 -1.976 . . . . 0.0 107.796 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.482 ' ND2' ' C ' ' A' ' 80' ' ' SER . 7.1 m-80 -150.81 -120.48 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.811 -1.181 . . . . 0.0 109.167 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -107.34 -41.81 5.0 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.5 m -150.39 17.32 0.83 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.088 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.558 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 2.4 t -119.24 22.79 11.65 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 120.178 -1.576 . . . . 0.0 107.914 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.629 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . -91.46 17.58 8.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -176.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.587 ' N ' ' NH2' ' A' ' 89' ' ' ARG . 2.3 t -129.37 -66.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 123.187 2.721 . . . . 0.0 112.033 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -59.65 -64.41 0.95 Allowed 'General case' 0 CA--C 1.556 1.19 0 O-C-N 120.799 -1.188 . . . . 0.0 113.693 -178.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.59 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 1.9 mt-10 -35.6 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.237 -0.914 . . . . 0.0 111.211 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.746 ' CD ' HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.85 -21.37 64.28 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 117.841 -1.543 . . . . 0.0 108.433 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.573 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -45.07 -55.67 5.41 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -58.89 -54.01 51.92 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 89' ' ' ARG . 54.0 t -39.5 -63.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.593 0.711 . . . . 0.0 109.901 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.744 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 3.9 tttm -58.7 -47.93 82.87 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.549 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 26.0 t0 -46.26 -19.7 0.08 Allowed 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.3 mt -89.33 -44.27 10.34 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.677 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 1.1 mt -37.3 -65.36 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.831 0.824 . . . . 0.0 109.405 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.744 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.2 -1.75 11.15 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.105 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -100.0 -28.61 12.99 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.427 -0.796 . . . . 0.0 109.589 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.694 HD11 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -87.25 -31.64 20.16 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.0 -1.063 . . . . 0.0 109.179 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.646 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -40.77 -40.12 2.04 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 41.5 Cg_exo -65.3 -37.89 29.21 Favored 'Trans proline' 0 C--N 1.299 -2.075 0 O-C-N 124.659 1.873 . . . . 0.0 111.214 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 99' ' ' LEU . 10.8 tttm -50.33 -51.7 43.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.619 0.723 . . . . 0.0 111.607 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.683 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -109.95 -0.97 17.96 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.607 -0.683 . . . . 0.0 109.611 -177.036 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' HD3' ' NZ ' ' A' ' 51' ' ' LYS . 3.1 tptt -155.07 105.74 2.56 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.328 -0.857 . . . . 0.0 109.752 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -114.9 141.45 47.92 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 109.247 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -71.65 -166.28 0.2 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.168 -0.958 . . . . 0.0 109.405 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.53 162.13 14.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.268 -0.895 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.442 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.51 137.76 48.67 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.264 -0.897 . . . . 0.0 109.449 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.426 HG21 ' CD ' ' A' ' 7' ' ' GLU . 5.5 t -80.18 144.36 33.06 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.327 -0.858 . . . . 0.0 109.413 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.77 -20.47 53.29 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.232 -0.917 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -94.22 162.0 14.03 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.132 -0.98 . . . . 0.0 109.601 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.94 163.65 9.35 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.944 0.878 . . . . 0.0 110.201 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' CD ' HG21 ' A' ' 3' ' ' THR . 3.3 mt-10 -119.28 114.14 21.94 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.598 ' CG1' ' CE ' ' A' ' 27' ' ' MET . 2.0 m -98.8 154.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 O-C-N 120.612 -1.305 . . . . 0.0 110.251 -177.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.84 -47.89 5.12 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.003 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 95' ' ' LEU . 26.8 tp -158.38 143.07 16.15 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.675 -1.891 . . . . 0.0 110.136 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 136.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.351 -0.843 . . . . 0.0 110.019 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' CG2' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -119.26 100.16 9.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-O 122.198 0.999 . . . . 0.0 108.613 177.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.76 -18.9 9.41 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.02 0.914 . . . . 0.0 110.954 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 15' ' ' VAL . 9.0 tptt -115.93 120.45 39.23 Favored 'General case' 0 C--N 1.28 -2.45 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.24 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.667 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 t -150.75 148.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.489 -1.285 . . . . 0.0 109.301 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' NH1' ' OD2' ' A' ' 21' ' ' ASP . 9.7 tpp180 -123.55 134.66 53.81 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.639 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 8.5 pt20 -141.58 134.82 29.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' GLN . 11.4 mttp -36.68 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.847 -0.533 . . . . 0.0 111.382 -174.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 ptpm? -80.98 -55.9 4.48 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.514 -1.367 . . . . 0.0 110.472 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.569 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.49 168.67 24.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 110.228 -175.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.52 ' OD2' ' NH1' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -106.1 129.98 54.09 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 101.027 -3.694 . . . . 0.0 101.027 175.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.58 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.75 165.9 35.9 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.596 -176.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 134.64 34.39 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 123.2 1.476 . . . . 0.0 111.143 -176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.667 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.6 mt -107.93 134.32 51.02 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.7 -175.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 11' ' ' ILE . 7.5 m-85 -116.85 135.18 53.94 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.535 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 1.7 tt -109.77 130.08 55.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.175 -1.578 . . . . 0.0 106.974 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.598 ' CE ' ' CG1' ' A' ' 8' ' ' VAL . 6.0 ttm -116.04 153.8 31.05 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.6 -55.45 1.12 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.824 -0.548 . . . . 0.0 111.165 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.7 tt0 -105.94 7.98 32.34 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.357 -1.464 . . . . 0.0 112.769 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HB2' ' C ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -159.56 165.31 33.14 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 119.241 -2.162 . . . . 0.0 113.164 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.576 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -109.87 123.4 65.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' LEU . . . -110.8 158.81 18.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.165 0.983 . . . . 0.0 111.498 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.75 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 16.9 t90 -134.42 140.53 46.34 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.253 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.76 159.52 32.3 Favored Pre-proline 0 C--N 1.297 -1.679 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.335 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -107.35 -155.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 123.97 1.51 . . . . 0.0 109.119 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.97 81.58 1.47 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.821 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -160.28 -174.52 30.19 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.84 58.9 0.15 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.115 -1.226 . . . . 0.0 108.96 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' GLY . 4.6 t0 -164.53 135.26 4.15 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 177.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.2 mpt_? -117.99 -5.5 10.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 119.087 -2.258 . . . . 0.0 110.274 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -135.14 81.24 1.88 Allowed 'General case' 0 C--N 1.29 -2.006 0 C-N-CA 119.51 -0.876 . . . . 0.0 111.443 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -60.22 -35.63 75.86 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 177.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.644 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 2.2 pp -150.72 172.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.118 0.961 . . . . 0.0 111.852 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -168.48 113.34 0.62 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.644 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.1 117.16 33.44 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.874 -1.141 . . . . 0.0 109.046 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -64.9 115.14 5.05 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.617 -0.677 . . . . 0.0 110.136 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.1 m-30 -39.04 -45.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.996 -0.44 . . . . 0.0 110.178 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.13 -37.13 78.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 119.96 -1.713 . . . . 0.0 108.391 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.5 m-20 -66.71 -4.69 9.54 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.571 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 47' ' ' TYR . 6.0 pt -137.87 139.05 43.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.433 -0.792 . . . . 0.0 109.121 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -144.0 103.64 4.05 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 119.201 -2.187 . . . . 0.0 112.101 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.627 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.01 128.07 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.444 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' CG ' HD12 ' A' ' 100' ' ' LEU . 1.4 mt-30 -143.57 120.98 11.65 Favored 'General case' 0 C--N 1.285 -2.227 0 C-N-CA 117.646 -1.622 . . . . 0.0 111.314 -177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 55' ' ' ILE . 1.9 tttp -132.54 113.08 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 65' ' ' LEU . 4.6 mm -128.9 102.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.961 -1.087 . . . . 0.0 109.444 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.646 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 2.2 m -119.45 29.2 0.14 Allowed Pre-proline 0 C--N 1.3 -1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 110.877 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.668 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 4.1 Cg_exo -69.23 -4.8 14.39 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 115.269 -2.687 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.29 -12.08 48.08 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.42 18.9 2.84 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 15.3 mmtt -90.6 -121.3 0.06 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.299 -1.118 . . . . 0.0 108.303 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.536 ' C ' ' HG2' ' A' ' 62' ' ' LYS . . . -119.67 -24.73 6.13 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -167.05 -76.01 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.59 0.709 . . . . 0.0 109.821 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.668 ' HA ' ' CB ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -162.78 82.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 C-N-CA 118.467 -1.293 . . . . 0.0 113.997 -176.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.522 ' OE1' ' CE ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -114.54 133.74 55.56 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.574 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.29 166.67 13.7 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.605 -1.31 . . . . 0.0 111.062 -178.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.94 129.35 21.25 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.724 0.773 . . . . 0.0 110.545 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD22 ' CG1' ' A' ' 50' ' ' ILE . 1.9 tt -133.28 149.72 51.93 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 1.9 t -125.64 158.74 34.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-O 123.294 1.521 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -93.51 144.16 25.62 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.051 -177.179 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.6 p80 -45.22 -30.84 1.29 Allowed 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.07 -148.93 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.6 53.08 0.62 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.584 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 7.3 m-20 -128.99 129.78 45.83 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 119.749 -0.78 . . . . 0.0 108.976 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 2.0 m -108.05 158.37 17.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -125.5 115.8 20.8 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.393 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.07 130.59 55.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.75 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -143.42 152.66 41.82 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.224 -1.39 . . . . 0.0 111.027 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.834 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.3 t-80 -150.32 162.97 39.48 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.961 1.363 . . . . 0.0 112.343 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.834 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 27.3 m-85 -132.92 140.44 47.85 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.538 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 4.3 t -152.03 -18.75 0.18 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 123.528 2.876 . . . . 0.0 113.607 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -43.13 106.63 0.07 Allowed 'General case' 0 C--N 1.309 -1.195 0 O-C-N 120.508 -1.37 . . . . 0.0 109.365 -178.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 81' ' ' ASN . 9.5 pt-20 -38.68 -43.32 0.88 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.584 -0.698 . . . . 0.0 110.401 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -55.06 -37.79 67.19 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 109.646 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.606 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -133.96 36.74 3.26 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.259 -0.901 . . . . 0.0 109.211 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 81' ' ' ASN . . . -92.53 22.6 4.53 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 87' ' ' LYS . 77.8 t -144.23 -101.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 O-C-N 118.81 -2.431 . . . . 0.0 111.116 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -34.85 -65.56 0.21 Allowed 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.995 -178.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.9 -62.17 0.5 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.014 0.912 . . . . 0.0 110.485 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.649 ' HD2' ' CD2' ' A' ' 79' ' ' PHE . 9.9 mmt180 -60.96 -47.33 86.91 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 4.8 m-20 -52.34 -16.59 0.89 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.688 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.594 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -96.5 -30.93 13.05 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 89' ' ' ARG . 4.0 t -66.49 -55.54 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.622 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.8 ttpt -53.21 -51.2 62.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' LYS . 32.3 m-20 -38.55 -69.49 0.12 Allowed 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -41.68 -51.41 4.09 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 121.486 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -39.71 -65.9 0.35 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.696 0.76 . . . . 0.0 110.182 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.622 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -67.52 -2.53 6.68 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.379 -0.826 . . . . 0.0 110.055 -179.684 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.01 -35.17 11.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.175 -0.953 . . . . 0.0 109.577 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -90.07 -29.47 18.34 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 121.003 -1.061 . . . . 0.0 108.395 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.631 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -43.15 -41.64 7.21 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -62.1 -36.35 70.59 Favored 'Trans proline' 0 C--N 1.299 -2.031 0 O-C-N 124.601 1.843 . . . . 0.0 110.5 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -49.94 -43.31 49.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.711 -0.618 . . . . 0.0 111.464 -179.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -107.78 -0.47 21.65 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.053 -1.029 . . . . 0.0 110.165 -177.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.544 ' CE ' ' HG2' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -95.56 18.93 11.82 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.104 -0.997 . . . . 0.0 109.053 178.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.34 -81.42 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.842 -0.536 . . . . 0.0 109.649 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.06 157.91 33.42 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.286 -0.884 . . . . 0.0 109.544 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.85 179.6 7.52 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.305 -1.356 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.433 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.0 0.27 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.271 -0.893 . . . . 0.0 109.351 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.38 13.25 2.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.268 -0.895 . . . . 0.0 109.625 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -98.56 -148.68 0.34 Allowed 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.09 -1.006 . . . . 0.0 109.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -111.38 -147.8 0.42 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.314 -0.866 . . . . 0.0 109.601 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.546 ' HB2' ' CE ' ' A' ' 27' ' ' MET . 0.6 OUTLIER -60.94 159.09 11.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.228 -0.92 . . . . 0.0 109.939 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.46 112.22 19.11 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -98.93 155.13 3.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.664 -1.273 . . . . 0.0 109.914 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 tp -98.68 -48.08 5.09 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.338 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -159.33 142.22 14.18 Favored 'General case' 0 C--N 1.311 -1.077 0 O-C-N 119.5 -2.0 . . . . 0.0 110.828 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.613 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -118.84 133.35 65.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 O-C-N 121.486 -0.759 . . . . 0.0 110.117 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' A' ' 15' ' ' VAL . 5.9 m -115.69 96.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -56.83 -19.25 16.35 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.943 0.877 . . . . 0.0 110.547 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.16 117.95 30.98 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.499 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.645 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.88 148.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.749 174.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.31 141.99 50.39 Favored 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.612 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.6 pt20 -146.11 132.14 19.27 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.71 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.818 -0.551 . . . . 0.0 111.395 -174.04 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.89 -55.56 4.88 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.464 -1.398 . . . . 0.0 110.291 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 38.5 tt0 -151.85 168.48 24.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.655 -0.653 . . . . 0.0 110.033 -174.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 3.0 m-20 -106.1 129.43 54.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 101.701 -3.444 . . . . 0.0 101.701 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.553 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.02 165.96 36.09 Favored Glycine 0 C--N 1.299 -1.505 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.327 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -84.77 134.62 34.31 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 123.227 1.489 . . . . 0.0 111.084 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.645 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.4 mt -107.74 135.64 48.83 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 113.264 -1.789 . . . . 0.0 110.17 -175.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.613 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 8.6 m-85 -117.08 133.55 55.86 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 26' ' ' LEU . 4.9 tt -109.97 131.09 55.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.01 -1.681 . . . . 0.0 107.699 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.546 ' CE ' ' HB2' ' A' ' 6' ' ' GLU . 2.8 ttt -117.93 152.36 35.6 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.531 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.39 -55.98 1.01 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.825 -0.547 . . . . 0.0 111.504 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 tt0 -103.83 5.81 36.17 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 120.21 -1.556 . . . . 0.0 112.243 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.538 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -159.9 165.83 31.39 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.309 -2.12 . . . . 0.0 113.128 -179.232 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 47' ' ' TYR . 1.4 mm -108.94 137.71 39.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -125.05 150.97 46.24 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.986 -1.071 . . . . 0.0 111.328 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.733 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 17.1 t90 -124.78 143.25 50.9 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.468 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.54 125.95 4.54 Favored Pre-proline 0 C--N 1.295 -1.798 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.749 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.471 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 2.9 Cg_endo -73.52 -173.19 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 123.847 1.446 . . . . 0.0 109.977 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.46 37.47 3.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.895 . . . . 0.0 109.539 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 -47.16 0.01 OUTLIER Glycine 0 C--N 1.306 -1.134 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -147.58 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.208 -1.172 . . . . 0.0 109.539 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -84.19 115.63 22.52 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.236 -0.915 . . . . 0.0 109.064 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -19.88 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.269 0.557 . . . . 0.0 112.019 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -47.72 120.29 3.28 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.183 -0.948 . . . . 0.0 110.325 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.625 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -124.97 -14.14 6.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.827 -178.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.722 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -152.27 157.02 5.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.88 -179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 49.8 p -164.0 102.16 0.88 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.615 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.72 115.67 30.29 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 121.102 -0.999 . . . . 0.0 109.105 179.301 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.538 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -65.47 116.89 7.23 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.447 -0.783 . . . . 0.0 110.277 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.715 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 4.1 m-30 -39.47 -46.25 1.66 Allowed 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.892 -0.505 . . . . 0.0 109.876 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.541 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.11 -37.3 78.3 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 120.09 -1.631 . . . . 0.0 108.461 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' MET . 23.6 m-20 -68.59 -5.01 17.46 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.508 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.575 ' CG1' HD23 ' A' ' 67' ' ' LEU . 8.0 pt -135.76 133.35 51.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.477 -0.764 . . . . 0.0 109.2 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HD3' ' CD ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -148.1 104.07 3.52 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 119.261 -2.15 . . . . 0.0 113.531 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.65 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 4.8 t 173.26 133.92 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 6.2 mt-30 -143.55 121.61 12.13 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.038 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 113.4 14.22 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 2.0 pp -131.77 104.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.913 -1.117 . . . . 0.0 109.91 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.656 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -118.26 30.33 0.15 Allowed Pre-proline 0 C--N 1.302 -1.489 0 O-C-N 121.244 -0.91 . . . . 0.0 110.935 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 56' ' ' SER . 5.5 Cg_exo -68.29 -8.25 22.39 Favored 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 115.746 -2.369 . . . . 0.0 109.779 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 40.4 tp10 -62.82 -14.67 48.34 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.8 26.13 5.17 Favored Glycine 0 C--O 1.215 -1.09 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 11.8 mmmt -105.09 -114.26 0.24 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.85 -7.26 0.1 Allowed 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.685 ' HD3' ' CD2' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -153.14 -105.84 0.05 OUTLIER 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.637 ' CG1' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -163.94 84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 O-C-N 120.902 -1.124 . . . . 0.0 113.019 -177.431 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 11.3 pt20 -109.0 130.42 55.48 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.606 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.77 171.28 8.72 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 120.608 -1.308 . . . . 0.0 112.113 -177.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.3 OUTLIER -138.43 131.72 30.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.583 0.706 . . . . 0.0 110.262 -179.741 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD23 ' CG1' ' A' ' 50' ' ' ILE . 6.3 tt -133.54 145.41 50.1 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.65 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 2.5 t -122.61 158.34 26.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.486 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.767 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -92.5 146.17 23.88 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.588 -176.728 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 52.9 m-70 -45.36 -32.01 1.89 Allowed 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.26 -151.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.229 -1.351 . . . . 0.0 107.805 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.14 52.92 0.61 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.577 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 m-20 -128.82 134.81 48.47 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.235 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.439 ' CG2' HG21 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.48 160.1 15.91 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.228 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.605 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 1.7 m -133.59 107.34 7.93 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 14.7 m-20 -108.83 138.14 45.63 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.924 -1.11 . . . . 0.0 108.244 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.733 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -146.27 150.82 36.52 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.984 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.685 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t-80 -144.15 156.03 44.17 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 122.631 1.205 . . . . 0.0 112.498 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.633 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -144.72 138.74 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.604 ' CB ' ' CE1' ' A' ' 78' ' ' HIS . 17.7 t -176.13 42.36 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 O-C-N 119.29 -2.131 . . . . 0.0 109.473 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.57 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -38.91 155.4 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.638 -0.664 . . . . 0.0 110.682 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ASN . 10.2 tp10 -46.22 -49.55 16.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.35 -0.844 . . . . 0.0 108.875 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m -120.1 -0.07 10.61 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.234 -0.916 . . . . 0.0 110.735 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.632 ' O ' ' CG2' ' A' ' 84' ' ' THR . 1.1 m -112.04 29.38 7.93 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 120.364 -1.46 . . . . 0.0 107.951 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' ' 80' ' ' SER . . . -92.1 59.1 3.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.779 -1.2 . . . . 0.0 110.183 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.507 ' CG2' ' OE2' ' A' ' 88' ' ' GLU . 10.7 m -153.01 -138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.229 -1.544 . . . . 0.0 112.603 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -34.58 -41.19 0.12 Allowed 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.842 -0.536 . . . . 0.0 111.537 -178.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -48.06 -72.37 0.05 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.742 -1.224 . . . . 0.0 108.574 179.179 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.633 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 11.6 mmt180 -62.98 -53.47 53.41 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.8 OUTLIER -35.73 -50.07 0.62 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -60.83 -53.0 62.64 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.624 ' CG1' ' CZ ' ' A' ' 79' ' ' PHE . 16.6 t -38.6 -61.07 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.695 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.7 ttpp -58.09 -51.52 69.38 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.591 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 7.9 t0 -43.33 -23.2 0.05 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.772 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.8 OUTLIER -88.65 -44.35 10.67 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.105 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.633 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.0 mt -39.94 -62.03 0.78 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.271 0.557 . . . . 0.0 109.892 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.695 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.14 -2.01 11.77 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.628 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.28 -36.89 12.96 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.684 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -91.0 -29.25 17.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.642 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 tp -43.11 -45.88 13.42 Favored Pre-proline 0 C--N 1.305 -1.365 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.3 Cg_exo -55.37 -34.43 88.86 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 O-C-N 124.359 1.716 . . . . 0.0 110.682 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -54.22 -42.55 69.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.758 -0.589 . . . . 0.0 112.18 -178.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.715 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -107.32 -4.3 18.78 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.809 -1.182 . . . . 0.0 110.311 -177.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 10.9 mmmm -83.04 -166.15 1.26 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.182 -0.948 . . . . 0.0 108.914 179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.529 ' NH1' ' HG2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -48.6 -95.59 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.173 -0.955 . . . . 0.0 109.577 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.99 -169.02 1.39 Allowed 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.003 -1.061 . . . . 0.0 109.486 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -125.54 -179.36 4.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.269 -0.894 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 38.8 t30 . . . . . 0 C--N 1.305 -1.328 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.384 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.73 71.6 0.82 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.259 -0.901 . . . . 0.0 109.383 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -91.03 -65.99 0.97 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.232 -0.917 . . . . 0.0 109.552 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 5' ' ' SER . 21.8 t -99.76 -168.07 1.55 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.261 -0.899 . . . . 0.0 109.485 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' OG ' ' A' ' 4' ' ' SER . 1.4 m -88.75 -154.04 0.28 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 2.4 mp0 -67.97 162.33 24.61 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.312 -0.867 . . . . 0.0 109.809 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -119.81 113.44 20.61 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.274 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.535 ' CG1' ' HE2' ' A' ' 27' ' ' MET . 0.8 OUTLIER -98.63 154.69 3.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 O-C-N 120.273 -1.517 . . . . 0.0 109.9 -176.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 95' ' ' LEU . 8.4 tp -99.0 -50.27 4.23 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.495 -177.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.44 168.21 27.58 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 119.653 -1.905 . . . . 0.0 110.93 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.624 HG13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -134.33 136.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.88 96.81 4.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 CA-C-O 122.275 1.036 . . . . 0.0 109.481 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.24 -18.93 18.37 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.459 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.3 tptm -114.71 115.3 26.85 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 119.849 -0.741 . . . . 0.0 110.233 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.723 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 19.2 t -150.26 146.86 16.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 118.223 -1.391 . . . . 0.0 109.548 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.75 131.16 53.92 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.625 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 1.8 pt20 -136.19 132.69 36.26 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.5 mttp -36.35 -24.1 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.917 -0.489 . . . . 0.0 111.244 -173.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.6 ptpt -79.67 -53.51 6.76 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.451 -1.406 . . . . 0.0 109.724 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.538 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.55 168.56 24.54 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.595 0.712 . . . . 0.0 110.738 -174.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 m-20 -106.18 130.33 54.08 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 100.507 -3.886 . . . . 0.0 100.507 175.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.585 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.23 36.2 Favored Glycine 0 C--N 1.296 -1.671 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 133.39 34.28 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 123.101 1.429 . . . . 0.0 110.634 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.723 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.1 mt -108.12 132.09 53.95 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.726 -175.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.6 m-85 -111.7 136.74 50.53 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' CD2' HD22 ' A' ' 96' ' ' LEU . 16.7 tp -122.78 139.68 53.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.784 -1.823 . . . . 0.0 108.666 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.665 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 4.2 ttm -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.522 ' HA ' HD21 ' A' ' 99' ' ' LEU . . . -37.68 -58.53 0.88 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.594 -0.691 . . . . 0.0 111.492 -177.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 9.7 tt0 -86.79 -7.01 58.64 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -173.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.665 ' HD2' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -160.92 165.61 29.74 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 119.159 -2.213 . . . . 0.0 112.464 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.516 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.2 mm -112.02 134.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.584 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.42 149.5 42.27 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.998 -1.064 . . . . 0.0 111.242 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.738 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 18.1 t90 -126.5 143.25 51.26 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.17 0.985 . . . . 0.0 111.147 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.81 108.13 2.88 Favored Pre-proline 0 C--N 1.294 -1.807 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.018 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.5 Cg_endo -55.43 130.19 39.21 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.899 1.473 . . . . 0.0 109.613 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 68.86 0.07 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.287 -0.883 . . . . 0.0 108.914 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -144.31 -47.54 0.04 OUTLIER Glycine 0 C--N 1.306 -1.133 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.239 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.5 mtpt -158.34 -88.92 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.174 0 O-C-N 120.846 -1.385 . . . . 0.0 111.106 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' PHE . 73.2 m-20 -42.99 85.39 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.158 0 O-C-N 121.563 -0.71 . . . . 0.0 112.531 -177.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.0 mtm180 -34.18 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.109 0 O-C-N 121.794 -0.567 . . . . 0.0 112.431 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 39' ' ' ASP . 24.7 m-85 -129.96 136.2 49.18 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.386 -0.821 . . . . 0.0 110.874 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.616 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -135.26 -19.2 1.71 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.549 -0.719 . . . . 0.0 110.805 -179.211 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -150.81 160.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.537 -1.265 . . . . 0.0 112.338 -178.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 t -167.27 101.66 0.52 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.176 177.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.597 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.08 119.59 39.77 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.07 -1.019 . . . . 0.0 108.795 179.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.54 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -69.65 118.69 12.83 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.583 0.706 . . . . 0.0 110.402 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 6.7 m-30 -41.12 -45.34 2.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.072 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.06 -34.43 75.15 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 119.889 -1.757 . . . . 0.0 108.431 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.539 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 1.1 m-20 -67.95 -3.91 11.43 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.714 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 67' ' ' LEU . 31.4 pt -138.13 134.78 44.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' CE ' ' HG2' ' A' ' 104' ' ' LYS . 12.2 tptp -136.38 102.84 5.09 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 116.24 -2.184 . . . . 0.0 112.374 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.17 136.47 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.059 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.547 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 19.4 mp0 -143.23 121.02 11.91 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 117.032 -1.867 . . . . 0.0 111.518 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -124.93 112.96 17.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.272 -1.331 . . . . 0.0 107.968 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.54 ' CG2' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -150.17 101.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 120.774 -1.204 . . . . 0.0 110.017 179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.677 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 17.4 t -120.08 24.34 0.11 Allowed Pre-proline 0 C--N 1.3 -1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.559 178.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.68 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 2.0 Cg_endo -62.6 -6.96 9.77 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 115.836 -2.309 . . . . 0.0 111.879 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PRO . 7.0 pt-20 -49.72 -33.53 16.31 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.873 -1.142 . . . . 0.0 108.047 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.47 35.01 1.77 Allowed Glycine 0 CA--C 1.539 1.579 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.571 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -88.92 -112.16 0.07 Allowed 'General case' 0 C--N 1.313 -1.007 0 O-C-N 120.556 -1.555 . . . . 0.0 110.92 -178.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' C ' ' HG2' ' A' ' 62' ' ' LYS . . . -124.09 -44.69 2.03 Favored 'General case' 0 C--N 1.311 -1.076 0 O-C-N 120.971 -1.081 . . . . 0.0 109.637 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.773 ' O ' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -167.21 32.36 0.03 OUTLIER 'General case' 0 C--O 1.19 -2.043 0 C-N-CA 118.55 -1.26 . . . . 0.0 112.254 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.773 ' CD1' ' O ' ' A' ' 62' ' ' LYS 0.293 0.0 OUTLIER 93.26 80.16 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-O 123.917 1.818 . . . . 0.0 113.441 177.936 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -119.39 137.05 54.0 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.935 -1.103 . . . . 0.0 109.274 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.574 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -132.18 163.44 28.54 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 120.701 -1.249 . . . . 0.0 110.574 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 1.2 mt-30 -147.15 138.85 24.2 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.885 0.85 . . . . 0.0 110.437 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -141.57 149.09 40.31 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.1 t -124.67 157.32 32.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 117.949 -1.5 . . . . 0.0 110.107 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.776 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.91 144.1 26.22 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.8 -176.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.9 p80 -45.43 -31.99 1.94 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.24 -154.45 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.039 -1.437 . . . . 0.0 107.714 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.7 52.78 0.62 Allowed Glycine 0 C--N 1.296 -1.645 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.598 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 50.5 m-20 -129.71 133.28 46.96 Favored 'General case' 0 C--N 1.286 -2.178 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.605 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.484 HG23 ' CG2' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.07 162.89 13.45 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.517 HG22 ' CE1' ' A' ' 45' ' ' HIS . 43.0 m -137.98 104.38 5.23 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.8 m-20 -109.28 145.33 36.13 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.96 -1.087 . . . . 0.0 108.174 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.707 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -149.19 147.7 28.74 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.153 -1.419 . . . . 0.0 111.221 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.642 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 63.4 t-80 -138.45 163.22 32.49 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 122.137 0.97 . . . . 0.0 110.315 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.642 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -144.97 140.07 27.96 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.526 ' HA ' ' CB ' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -177.08 153.91 1.02 Allowed 'General case' 0 C--N 1.314 -0.963 0 O-C-N 119.173 -2.204 . . . . 0.0 107.947 176.172 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.549 ' HB2' ' CB ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -150.58 175.91 11.48 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.224 -0.923 . . . . 0.0 108.733 178.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' ASN . 10.9 pt-20 -50.0 -37.27 31.92 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.47 16.29 0.8 Allowed 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.802 -0.561 . . . . 0.0 110.183 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.578 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.5 OUTLIER -107.67 16.45 23.67 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 120.386 -1.446 . . . . 0.0 109.78 -179.484 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' ' 80' ' ' SER . . . -91.75 69.68 5.63 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 120.415 -1.428 . . . . 0.0 107.82 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 85' ' ' ALA . 16.9 m -152.87 -136.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.429 -0.794 . . . . 0.0 111.057 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.8 mttp -34.79 -49.49 0.43 Allowed 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.63 -0.669 . . . . 0.0 112.131 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 84' ' ' THR . 1.2 pm0 -48.27 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.478 -1.389 . . . . 0.0 110.122 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.638 ' CB ' HG13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -61.22 -46.56 89.94 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 122.283 1.04 . . . . 0.0 108.254 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 13.6 t0 -55.79 -12.47 1.32 Allowed 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 87' ' ' LYS . . . -95.03 -37.23 11.21 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 120.999 -1.063 . . . . 0.0 109.666 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.586 HG23 ' CE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -70.67 -41.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.694 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -68.45 -43.98 75.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.813 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.604 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 8.4 t70 -58.05 -20.63 40.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.537 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.7 mm? -92.76 -44.38 8.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.051 -1.03 . . . . 0.0 108.687 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.3 mt -37.16 -68.64 0.14 Allowed 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.416 -0.803 . . . . 0.0 110.643 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.705 ' NE2' ' N ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -57.76 -0.65 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.463 -0.773 . . . . 0.0 112.005 179.446 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.53 -37.6 11.83 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.583 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -82.47 -29.82 30.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.103 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.599 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -42.89 -40.28 4.76 Favored Pre-proline 0 C--N 1.303 -1.456 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.27 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 100' ' ' LEU . 36.8 Cg_exo -69.93 2.16 3.88 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 O-C-N 124.621 1.853 . . . . 0.0 112.314 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -43.87 8.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.905 -1.122 . . . . 0.0 112.177 -177.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.82 -3.7 48.48 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.189 -0.944 . . . . 0.0 110.284 -176.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.558 ' HD2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -160.92 124.2 3.32 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.197 -0.939 . . . . 0.0 109.244 177.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -76.77 0.19 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.924 -1.11 . . . . 0.0 109.521 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -58.69 171.26 0.66 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.212 -0.93 . . . . 0.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.72 155.02 17.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.24 -0.912 . . . . 0.0 109.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 C--N 1.305 -1.369 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.392 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.72 -54.86 2.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.263 -0.898 . . . . 0.0 109.481 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.1 m -79.81 -88.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.226 -0.921 . . . . 0.0 109.501 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 m -145.31 175.4 10.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.213 -0.93 . . . . 0.0 109.417 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -165.7 1.13 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.26 -0.9 . . . . 0.0 109.406 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 15.0 mp0 -117.06 163.07 16.8 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -118.28 162.64 17.93 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m -98.2 155.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 119.853 -1.779 . . . . 0.0 110.47 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -98.51 -45.61 6.05 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.59 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -159.66 142.85 14.18 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.413 -2.055 . . . . 0.0 110.284 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.34 139.16 36.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.071 -1.018 . . . . 0.0 109.68 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.561 HG21 ' CG2' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -111.12 106.93 21.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.594 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.45 -19.11 13.63 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.401 1.096 . . . . 0.0 109.938 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -116.45 123.3 47.16 Favored 'General case' 0 C--N 1.279 -2.478 0 C-N-CA 119.636 -0.825 . . . . 0.0 109.977 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.688 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 2.5 t -151.27 148.91 14.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.153 -1.019 . . . . 0.0 108.559 174.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.7 ttm180 -120.9 146.22 46.84 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 2.8 pt20 -150.03 130.71 14.05 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -37.02 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.703 -0.623 . . . . 0.0 111.296 -174.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptpt -78.33 -53.87 6.82 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.573 -1.329 . . . . 0.0 110.247 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.577 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.84 168.3 25.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.586 -0.696 . . . . 0.0 110.002 -175.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 8.8 m-20 -106.16 127.66 53.36 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 101.257 -3.608 . . . . 0.0 101.257 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.53 165.63 35.65 Favored Glycine 0 C--N 1.3 -1.431 0 C-N-CA 119.331 -1.414 . . . . 0.0 112.177 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 13' ' ' LYS . . . -84.06 128.58 34.65 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 123.417 1.58 . . . . 0.0 111.893 -175.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.688 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.1 mt -107.26 138.77 42.83 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 113.154 -1.839 . . . . 0.0 108.547 -175.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.611 ' CE2' HG13 ' A' ' 11' ' ' ILE . 5.3 m-85 -118.22 138.24 52.47 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.692 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 10.4 tt -114.38 131.56 56.53 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.53 ' HE2' ' CD ' ' A' ' 30' ' ' ARG . 1.4 ttp -121.46 151.59 40.07 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.89 -47.88 0.72 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 122.048 -0.407 . . . . 0.0 110.912 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -109.71 -1.45 18.01 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 120.497 -1.377 . . . . 0.0 112.453 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -157.71 165.08 36.36 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 119.024 -2.298 . . . . 0.0 113.621 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.518 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.3 mm -108.39 141.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' HA ' HG23 ' A' ' 43' ' ' ILE . . . -130.66 154.03 48.33 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.946 -1.096 . . . . 0.0 111.319 -178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.765 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 14.2 t90 -123.08 139.19 54.32 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.94 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.06 155.78 33.64 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.642 -0.662 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -110.57 141.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 O-C-N 123.775 1.408 . . . . 0.0 109.575 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 87.59 0.08 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.147 -0.971 . . . . 0.0 110.296 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.56 -149.94 5.73 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -91.89 34.94 0.98 Allowed 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.118 -1.225 . . . . 0.0 108.474 179.035 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 38' ' ' LYS . 51.2 m-20 -163.37 120.88 1.87 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -109.72 -88.73 0.49 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 119.68 -1.887 . . . . 0.0 110.181 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' ARG . 18.1 m-85 -39.85 94.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 122.298 1.047 . . . . 0.0 110.661 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.636 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -106.06 -10.36 16.58 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -153.62 155.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.356 179.149 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.3 m -162.41 103.54 1.09 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.614 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.593 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.59 113.6 26.51 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.161 -0.962 . . . . 0.0 108.942 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.579 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -66.75 108.34 2.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 110.258 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.693 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 2.7 m-30 -31.48 -45.0 0.08 Allowed 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.417 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -69.09 -43.78 73.81 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 120.18 -1.575 . . . . 0.0 109.651 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' MET . 78.6 m-20 -67.49 -5.6 15.77 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.326 0.584 . . . . 0.0 109.456 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.559 ' CG1' HD23 ' A' ' 67' ' ' LEU . 13.6 pt -127.61 132.91 68.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.52 ' CE ' ' HG2' ' A' ' 104' ' ' LYS . 9.9 tptp -147.14 103.75 3.62 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 119.359 -2.088 . . . . 0.0 112.13 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER 173.13 120.77 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 176.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.548 ' NE2' ' CD2' ' A' ' 100' ' ' LEU . 9.7 mp0 -142.33 120.97 12.57 Favored 'General case' 0 C--N 1.279 -2.463 0 C-N-CA 117.139 -1.824 . . . . 0.0 111.708 -175.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.81 124.89 45.25 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.849 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG21 ' HD2' ' A' ' 93' ' ' LYS . 16.4 mm -109.57 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.849 -1.157 . . . . 0.0 109.101 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.652 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 39.2 t -118.39 10.51 0.07 OUTLIER Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.398 -0.814 . . . . 0.0 113.168 -179.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 56' ' ' SER . 2.8 Cg_endo -83.12 18.26 1.52 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 C-N-CA 114.807 -2.995 . . . . 0.0 111.338 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -70.21 -27.33 64.4 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.86 44.51 1.03 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 56' ' ' SER . 6.2 mmtt -104.6 -131.3 0.29 Allowed 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.251 -1.147 . . . . 0.0 108.802 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -104.83 -23.85 12.97 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.548 -1.345 . . . . 0.0 107.638 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.668 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -171.74 -70.67 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 122.335 1.064 . . . . 0.0 109.435 177.795 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.644 ' HA ' ' CB ' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -164.36 83.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.285 -2.231 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -176.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.514 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -111.08 127.03 55.42 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -113.0 165.57 12.23 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.548 -1.345 . . . . 0.0 111.527 -178.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -131.37 129.82 41.85 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.722 0.772 . . . . 0.0 110.426 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 4.8 tt -135.11 137.44 42.82 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.635 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 1.8 t -116.19 158.55 16.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-O 122.937 1.351 . . . . 0.0 109.812 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.736 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -91.9 148.34 22.29 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.882 -176.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 8.6 m-70 -44.29 -31.56 1.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -80.15 -143.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.84 53.77 0.63 Allowed Glycine 0 C--N 1.3 -1.443 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.552 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.9 m-20 -127.97 135.9 50.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.831 -0.805 . . . . 0.0 109.045 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.69 151.45 26.16 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.869 0.842 . . . . 0.0 110.046 -178.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.571 HG21 ' CE1' ' A' ' 45' ' ' HIS . 11.7 m -122.7 110.91 16.09 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.95 131.96 54.59 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.75 -1.219 . . . . 0.0 109.176 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.744 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -138.26 160.84 38.43 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.922 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.698 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 57.7 t-80 -143.34 169.69 17.19 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.856 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 65.5 m-85 -135.41 150.26 49.83 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.246 -0.909 . . . . 0.0 108.802 178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.53 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.8 t -176.65 130.99 0.2 Allowed 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 118.368 -1.333 . . . . 0.0 112.116 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 80' ' ' SER . 1.2 m-80 -150.54 153.97 36.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.592 -0.692 . . . . 0.0 109.413 178.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -48.13 -27.31 2.28 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 108.823 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.37 7.46 0.59 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.32 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.645 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -120.92 33.28 5.62 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 119.887 -1.758 . . . . 0.0 107.805 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -92.64 22.41 4.75 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.196 -0.94 . . . . 0.0 112.323 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 87' ' ' LYS . 33.0 m -134.33 -125.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 O-C-N 119.661 -1.9 . . . . 0.0 112.34 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 86' ' ' VAL . 4.9 mttm -33.98 -48.29 0.3 Allowed 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.384 -0.822 . . . . 0.0 110.725 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -46.68 -68.03 0.23 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 122.588 1.185 . . . . 0.0 109.428 178.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.578 ' HB3' ' CG ' ' A' ' 79' ' ' PHE . 2.1 mmt180 -59.47 -58.76 7.18 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -36.92 -37.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.764 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 92' ' ' VAL . . . -67.7 -54.34 20.26 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ARG . 7.1 t -41.39 -52.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 C-N-CA 119.708 -0.797 . . . . 0.0 108.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.646 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -53.38 -56.96 12.48 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.625 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 22.9 t70 -37.88 -62.87 0.51 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.7 OUTLIER -44.88 -52.93 8.12 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.591 ' HA ' HD11 ' A' ' 99' ' ' LEU . 9.4 mt -39.86 -65.4 0.4 Allowed 'General case' 0 C--N 1.315 -0.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.491 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.646 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.61 -3.35 14.6 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.033 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -86.59 -31.59 21.09 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -91.85 -25.53 18.92 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.719 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 14.1 mt -43.46 -31.09 0.52 Allowed Pre-proline 0 C--N 1.304 -1.371 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 51.0 Cg_exo -70.37 -35.75 10.32 Favored 'Trans proline' 0 C--N 1.301 -1.968 0 O-C-N 124.439 1.757 . . . . 0.0 111.766 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' LEU . 16.8 mttt -56.41 -33.86 66.19 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.961 -1.087 . . . . 0.0 111.844 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.719 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -112.58 -5.55 14.0 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.528 -1.269 . . . . 0.0 110.223 -177.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HG2' ' CE ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -154.28 106.95 2.82 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.163 -0.961 . . . . 0.0 109.591 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -143.51 -62.89 0.4 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.334 -0.854 . . . . 0.0 109.141 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 135.16 56.37 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.284 -0.885 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.52 -57.0 1.29 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.305 -1.336 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.438 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -70.87 120.49 16.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.287 -0.883 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.05 -46.88 6.63 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.247 -0.908 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -71.16 -10.42 59.73 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.246 -0.909 . . . . 0.0 109.337 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -51.85 -76.46 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.256 -0.902 . . . . 0.0 109.418 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' OE2' ' SD ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -65.6 162.22 18.73 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.274 -0.891 . . . . 0.0 109.778 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -119.86 111.99 18.66 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG11 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.75 154.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 120.372 -1.455 . . . . 0.0 109.174 -177.569 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 57.2 tp -98.88 -42.6 7.08 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.586 -0.846 . . . . 0.0 112.495 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.1 tt -170.61 160.29 7.11 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 119.383 -2.073 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.66 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.19 143.01 30.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.804 0.811 . . . . 0.0 109.943 179.278 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.578 HG12 ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -125.65 126.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 1.004 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -70.11 -82.63 0.04 OUTLIER 'General case' 0 C--O 1.188 -2.177 0 C-N-CA 117.267 -1.773 . . . . 0.0 109.352 -178.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HG2' ' ND2' ' A' ' 81' ' ' ASN . 38.9 tptt -49.18 124.42 8.95 Favored 'General case' 0 C--N 1.273 -2.755 0 O-C-N 119.674 -1.891 . . . . 0.0 112.278 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.706 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 38.8 t -150.8 150.78 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.127 172.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 4.9 tpp180 -126.4 125.36 42.06 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.884 0.85 . . . . 0.0 109.863 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.623 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.6 pt20 -129.42 133.84 47.54 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.21 -23.33 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.872 -0.517 . . . . 0.0 111.344 -173.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.637 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -77.28 -55.7 5.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.504 -1.372 . . . . 0.0 109.796 177.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.4 tp-100 -151.64 168.61 24.44 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.345 -172.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.629 ' N ' ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -105.29 130.31 53.44 Favored 'General case' 0 C--N 1.295 -1.778 1 N-CA-C 99.176 -4.379 . . . . 0.0 99.176 175.769 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.591 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.96 166.21 36.16 Favored Glycine 0 C--N 1.293 -1.828 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.004 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.29 139.12 31.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 122.983 1.373 . . . . 0.0 111.777 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.706 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.6 mt -108.91 130.92 55.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.82 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.66 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.3 m-85 -112.58 139.54 48.08 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -123.57 138.96 54.45 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 119.832 -1.792 . . . . 0.0 108.592 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -128.99 149.23 50.91 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.054 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -40.98 -58.49 1.71 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.326 -0.859 . . . . 0.0 110.047 -178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tp10 -87.12 -6.21 58.74 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 113.11 -175.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.577 ' CZ ' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -158.65 164.36 36.05 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 119.166 -2.209 . . . . 0.0 112.905 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.579 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -110.74 131.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -118.83 150.99 38.9 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 121.075 -1.016 . . . . 0.0 110.999 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.723 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 22.6 t90 -129.94 142.33 50.66 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.842 0.829 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.44 114.29 3.05 Favored Pre-proline 0 C--N 1.294 -1.814 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.562 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.8 Cg_endo -89.65 -171.76 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.95 1.5 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -90.97 54.46 2.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.293 -0.879 . . . . 0.0 109.455 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.84 -102.82 2.22 Favored Glycine 0 C--N 1.304 -1.197 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -139.85 -52.57 0.52 Allowed 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.239 -1.153 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.55 ' O ' ' C ' ' A' ' 40' ' ' ARG . 18.2 m-20 -84.03 87.5 7.14 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.248 -0.908 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.55 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -19.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.351 0.596 . . . . 0.0 111.907 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -45.37 124.14 4.62 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.295 -0.878 . . . . 0.0 110.288 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.618 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -120.65 -14.79 8.55 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.595 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.723 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.32 158.9 4.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.832 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -168.1 101.86 0.45 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.094 177.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.607 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.88 121.97 46.46 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.017 -1.052 . . . . 0.0 109.906 179.697 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.42 110.34 3.07 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.298 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.725 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -34.14 -37.83 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 112.003 -177.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 120.064 -1.647 . . . . 0.0 107.811 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' MET . 9.0 m-20 -59.65 -5.98 1.03 Allowed 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.183 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.602 ' CD1' ' CB ' ' A' ' 45' ' ' HIS . 0.5 OUTLIER -124.6 112.9 33.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.661 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 1.2 tmtt? -130.05 103.1 6.56 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 116.349 -2.14 . . . . 0.0 112.613 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.42 133.38 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.699 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.533 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 4.2 mp0 -143.67 128.01 17.81 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 117.062 -1.855 . . . . 0.0 112.185 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 0.6 OUTLIER -143.83 112.32 6.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 178.424 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.535 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 2.2 mm -141.69 103.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.007 -1.058 . . . . 0.0 109.941 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.672 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -119.15 27.15 0.12 Allowed Pre-proline 0 C--N 1.296 -1.72 0 O-C-N 121.368 -0.833 . . . . 0.0 111.048 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 56' ' ' SER . 2.4 Cg_endo -67.57 -3.08 9.53 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 116.154 -2.097 . . . . 0.0 111.774 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -52.98 -27.81 20.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.914 -1.116 . . . . 0.0 108.399 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -144.23 43.21 0.99 Allowed Glycine 0 CA--C 1.538 1.519 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 39.8 mmtt -115.54 -177.69 3.21 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.33 -1.688 . . . . 0.0 112.891 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' C ' ' CD ' ' A' ' 62' ' ' LYS . . . -31.37 -69.01 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.695 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -163.94 40.21 0.09 Allowed 'General case' 0 C--O 1.193 -1.883 0 O-C-N 120.756 -1.215 . . . . 0.0 112.194 179.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.695 ' CG1' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER 87.07 80.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 120.935 1.698 . . . . 0.0 112.931 178.197 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -133.41 133.27 42.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.49 179.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HG ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -119.93 166.85 12.78 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.833 -1.167 . . . . 0.0 110.519 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -145.72 126.4 14.28 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.465 -0.772 . . . . 0.0 109.657 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.596 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -136.58 150.28 48.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.3 t -120.78 158.0 23.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 C-N-CA 118.169 -1.412 . . . . 0.0 111.374 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -85.29 144.83 27.85 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 114.324 -1.307 . . . . 0.0 108.018 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.3 p80 -48.95 -36.1 16.63 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.55 -152.77 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.574 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.87 54.51 0.55 Allowed Glycine 0 C--N 1.299 -1.474 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.554 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 26.0 m-20 -129.41 139.23 51.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.881 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.416 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.43 157.85 18.05 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -127.66 105.89 8.78 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m120 -111.77 139.8 46.95 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.668 -1.27 . . . . 0.0 108.439 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.684 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -150.23 142.47 24.17 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.698 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.64 ' CE1' ' HB2' ' A' ' 80' ' ' SER . 6.8 t-80 -141.31 163.48 32.84 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 122.16 0.981 . . . . 0.0 111.971 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.657 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -148.84 145.28 27.44 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.64 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 20.2 t -176.54 41.18 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.451 -2.031 . . . . 0.0 111.433 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.57 ' ND2' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -46.11 147.14 1.12 Allowed 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.717 -1.239 . . . . 0.0 109.93 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 81' ' ' ASN . 2.6 mt-10 -41.11 -50.01 3.45 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 121.623 -0.673 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.49 -6.43 15.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.165 -0.96 . . . . 0.0 110.334 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.617 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.8 OUTLIER -111.01 25.08 12.16 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 120.575 -1.328 . . . . 0.0 108.19 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' ' 80' ' ' SER . . . -93.4 61.27 3.24 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.551 -1.343 . . . . 0.0 108.927 175.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -151.71 -153.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 120.55 -1.343 . . . . 0.0 111.877 -178.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -37.82 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.394 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -47.85 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.601 -1.312 . . . . 0.0 109.286 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.657 ' HB3' ' CG ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.516 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -54.63 -13.35 0.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.574 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.39 -32.32 12.42 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 12' ' ' VAL . 2.4 t -58.93 -52.46 60.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.713 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.1 tttm -56.76 -50.3 72.67 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.525 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 17.3 t70 -47.65 -22.19 0.47 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 121.181 0.515 . . . . 0.0 109.727 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.578 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 6.2 mp -88.83 -49.7 6.66 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.65 ' CD1' ' HG ' ' A' ' 65' ' ' LEU . 21.8 mt -37.27 -68.37 0.15 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.898 0.856 . . . . 0.0 111.381 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.713 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.14 -0.86 0.83 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.532 -0.73 . . . . 0.0 110.122 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -91.72 -38.93 12.1 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.852 -1.155 . . . . 0.0 108.451 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.595 HD13 ' CA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -84.86 -28.45 26.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.598 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 12.8 mt -47.33 -34.9 5.26 Favored Pre-proline 0 C--N 1.304 -1.399 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.2 Cg_exo -74.49 -0.26 9.51 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 O-C-N 124.401 1.737 . . . . 0.0 111.354 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 6.6 tttt -87.32 -41.96 13.25 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.847 . . . . 0.0 111.422 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.725 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -104.4 2.7 31.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.434 -0.791 . . . . 0.0 109.473 -177.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' NZ ' ' HG2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.12 109.31 1.76 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.298 -0.876 . . . . 0.0 109.586 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -129.96 -63.4 0.91 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.322 -0.862 . . . . 0.0 109.009 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -89.62 177.93 6.41 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.304 -0.872 . . . . 0.0 109.272 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -160.11 177.77 10.36 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.198 -0.939 . . . . 0.0 109.44 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 42.4 p30 . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.406 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.87 -68.03 0.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.23 -0.919 . . . . 0.0 109.485 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 5' ' ' SER . 52.6 m -145.98 125.3 13.05 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 p -59.19 84.49 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.472 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -126.12 177.13 6.56 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.223 -0.923 . . . . 0.0 109.398 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -65.3 161.18 20.06 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.194 -0.942 . . . . 0.0 109.642 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -119.96 110.4 16.66 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.038 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.522 HG12 ' CE ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -98.94 155.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.542 -1.349 . . . . 0.0 109.522 -178.068 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.535 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 12.7 tp -98.59 -41.71 7.61 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.639 -0.824 . . . . 0.0 112.582 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -174.07 159.05 3.2 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 119.241 -2.162 . . . . 0.0 111.385 179.698 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.61 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 141.83 32.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.465 0.65 . . . . 0.0 110.017 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.501 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -124.05 126.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.606 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.984 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 36.9 tttt -63.87 -82.45 0.02 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 117.629 -1.628 . . . . 0.0 109.093 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -49.15 123.82 7.93 Favored 'General case' 0 C--N 1.272 -2.782 0 O-C-N 119.83 -1.794 . . . . 0.0 112.16 -176.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.736 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.09 146.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 10.0 tpp180 -122.56 134.61 54.53 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.616 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.8 pt20 -139.67 134.72 32.39 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mtpp -36.17 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.992 -0.442 . . . . 0.0 111.544 -173.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -83.2 -53.28 5.89 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.36 -1.462 . . . . 0.0 110.081 177.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.548 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.55 168.67 24.2 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.478 0.656 . . . . 0.0 111.006 -174.227 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.79 131.34 53.24 Favored 'General case' 0 C--N 1.298 -1.646 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 175.536 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.618 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.1 166.46 36.35 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.984 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.24 136.95 33.29 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 122.878 1.323 . . . . 0.0 110.915 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.736 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -108.69 133.82 52.26 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.749 -175.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.8 m-85 -113.95 138.76 49.9 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' CD2' HG11 ' A' ' 92' ' ' VAL . 1.4 mp -117.08 135.89 53.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.126 -1.609 . . . . 0.0 108.29 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.522 ' CE ' HG12 ' A' ' 8' ' ' VAL . 9.8 ttm -126.02 143.49 51.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 99' ' ' LEU . . . -43.38 -57.61 2.96 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.276 -0.89 . . . . 0.0 109.176 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.528 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.9 tt0 -85.42 -6.2 59.23 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.688 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -164.0 165.04 22.91 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 119.393 -2.067 . . . . 0.0 111.72 179.131 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.59 HG13 ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -109.02 135.45 47.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -121.38 146.82 46.48 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.121 -0.987 . . . . 0.0 111.278 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.659 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 21.8 t90 -126.59 143.3 51.26 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.998 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.06 120.75 3.6 Favored Pre-proline 0 C--N 1.297 -1.702 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.019 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -75.2 -40.87 0.73 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 123.904 1.476 . . . . 0.0 110.25 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.88 -172.2 3.51 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.163 -0.961 . . . . 0.0 109.677 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.09 -19.92 76.47 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -68.27 -7.9 34.8 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.221 -1.164 . . . . 0.0 109.477 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -148.8 44.79 1.01 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.178 -0.951 . . . . 0.0 109.31 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -28.76 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.535 0.684 . . . . 0.0 111.75 -178.453 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' ASP . 16.0 m-85 -126.23 77.16 1.67 Allowed 'General case' 0 C--N 1.283 -2.32 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.386 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.614 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -76.56 -13.06 60.11 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.649 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -151.7 159.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 C-N-CA 119.036 -1.066 . . . . 0.0 111.793 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.1 t -167.79 102.39 0.48 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.604 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.86 121.5 45.38 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 120.933 -1.104 . . . . 0.0 109.311 179.03 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.76 118.07 12.16 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.794 179.392 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 5.0 m-30 -40.65 -45.44 2.36 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.632 -0.667 . . . . 0.0 110.475 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.26 -33.95 74.03 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 120.001 -1.687 . . . . 0.0 108.253 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.7 m-20 -67.57 -4.1 10.73 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.525 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 39.4 pt -138.67 136.26 43.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.558 -0.714 . . . . 0.0 109.084 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 2.8 tmtt? -141.25 103.37 4.42 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 116.319 -2.152 . . . . 0.0 112.846 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.656 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 8.7 t 172.55 133.33 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.524 ' CB ' HD22 ' A' ' 100' ' ' LEU . 11.3 mp0 -144.0 127.63 17.09 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 117.234 -1.787 . . . . 0.0 111.754 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -141.41 112.67 7.44 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.195 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -150.58 102.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.058 -1.026 . . . . 0.0 109.583 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.625 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -120.52 34.99 0.23 Allowed Pre-proline 0 C--N 1.298 -1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.723 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -73.58 52.77 2.54 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 116.096 -2.136 . . . . 0.0 112.15 -178.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 -23.99 13.91 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.68 29.98 1.97 Allowed Glycine 0 C--N 1.307 -1.076 0 N-CA-C 106.443 -2.663 . . . . 0.0 106.443 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 4.4 mmpt? -98.29 -174.55 2.87 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 122.43 1.11 . . . . 0.0 112.445 -176.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.523 ' C ' ' CD ' ' A' ' 62' ' ' LYS . . . -40.87 -69.95 0.12 Allowed 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.336 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.836 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.9 52.34 0.02 OUTLIER 'General case' 0 C--O 1.192 -1.951 0 CA-C-O 117.78 -1.105 . . . . 0.0 111.113 177.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.836 ' CG2' ' O ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER 85.55 81.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 122.688 1.233 . . . . 0.0 114.251 179.123 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -126.2 131.24 52.03 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.531 177.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.99 167.29 16.1 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 120.845 -1.159 . . . . 0.0 109.626 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 121.108 -0.995 . . . . 0.0 111.008 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 0.7 OUTLIER -135.31 152.41 51.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.656 ' HB ' ' CB ' ' A' ' 52' ' ' CYS . 3.3 t -128.23 158.18 40.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 C-N-CA 117.923 -1.511 . . . . 0.0 110.865 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.757 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.53 142.69 27.48 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.993 -177.19 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.2 p80 -46.14 -31.39 2.37 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.48 -154.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.53 51.63 0.69 Allowed Glycine 0 C--N 1.297 -1.621 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 42.1 m-20 -129.33 132.04 47.03 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.525 ' CG2' HG22 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.66 161.84 14.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.058 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.1 m -134.65 104.68 6.15 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.5 m-20 -109.6 146.37 34.84 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.859 -1.151 . . . . 0.0 108.21 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.659 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -147.65 147.93 30.52 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.208 -1.397 . . . . 0.0 110.625 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -141.21 165.54 27.25 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 122.165 0.984 . . . . 0.0 110.356 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.793 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 54.0 m-85 -133.59 142.26 48.05 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.551 ' HA ' ' CB ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -165.96 127.9 1.93 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 118.962 -2.336 . . . . 0.0 109.747 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 80' ' ' SER . 1.9 m120 -150.92 -141.44 0.11 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 83' ' ' SER . 19.9 pt-20 -104.28 -37.22 7.34 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.499 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 3.5 m -150.67 11.27 0.67 Allowed 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.406 -0.917 . . . . 0.0 111.876 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.7 OUTLIER -123.69 14.19 9.37 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.18 -1.575 . . . . 0.0 107.935 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.551 ' CB ' ' HA ' ' A' ' 80' ' ' SER . . . -92.25 22.71 4.28 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 113.442 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 93.8 t -131.11 -95.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 119.368 -2.082 . . . . 0.0 110.541 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 90' ' ' ASP . 6.0 mtmt -35.56 -70.31 0.09 Allowed 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.357 -0.839 . . . . 0.0 111.861 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -35.91 -65.91 0.23 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.981 0.895 . . . . 0.0 109.806 -178.058 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.662 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.8 mmt180 -56.83 -39.62 74.56 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 87' ' ' LYS . 2.5 t0 -54.61 -16.21 2.29 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -94.22 -36.83 11.84 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.53 HG11 ' CD2' ' A' ' 26' ' ' LEU . 7.0 t -57.77 -55.21 22.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.5 tttm -55.15 -53.01 61.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.569 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 t0 -39.91 -26.69 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.3 mt -84.57 -47.81 10.18 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 3.0 mt -37.69 -61.01 0.66 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.571 0.7 . . . . 0.0 110.368 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.22 -2.19 9.87 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.913 -178.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.579 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.76 -31.26 12.74 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.32 -0.863 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.611 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -93.06 -31.97 14.65 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.887 -1.133 . . . . 0.0 109.019 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 5.8 mp -47.07 -38.1 12.1 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.7 Cg_exo -68.7 -3.33 11.01 Favored 'Trans proline' 0 C--N 1.301 -1.924 0 O-C-N 124.443 1.759 . . . . 0.0 111.487 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.6 tttt -87.34 -42.88 12.55 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.205 -0.934 . . . . 0.0 111.774 -178.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -109.5 -0.63 18.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.409 -0.807 . . . . 0.0 110.249 -176.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' HD2' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -154.7 102.69 2.39 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 14.5 ttp180 -160.12 66.01 0.35 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.276 -0.89 . . . . 0.0 109.41 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -62.02 134.45 56.64 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.166 -0.959 . . . . 0.0 109.42 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.54 22.88 0.23 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.242 -0.911 . . . . 0.0 109.373 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.305 -1.353 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.472 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.15 140.5 51.92 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.231 -0.918 . . . . 0.0 109.367 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 m -115.86 -35.88 4.33 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.205 -0.934 . . . . 0.0 109.527 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -134.43 -144.56 0.22 Allowed 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.21 -0.931 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -104.1 -81.26 0.52 Allowed 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.59 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 mp0 -69.17 161.83 28.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.164 -0.96 . . . . 0.0 109.799 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.93 110.28 16.1 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 HG13 ' CE ' ' A' ' 27' ' ' MET . 1.2 m -99.0 155.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 120.261 -1.524 . . . . 0.0 108.959 -178.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 18.2 tp -99.08 -40.83 7.82 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.318 -0.953 . . . . 0.0 113.182 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 95' ' ' LEU . 10.3 tp -167.05 163.86 15.85 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 119.095 -2.253 . . . . 0.0 111.757 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.607 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.25 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG22 ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -126.26 101.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 CA-C-O 122.323 1.059 . . . . 0.0 110.804 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -51.71 -18.32 1.18 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.057 179.245 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 4.0 tptt -115.17 114.79 25.74 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.677 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 25.1 t -150.64 147.61 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 C-N-CA 118.003 -1.479 . . . . 0.0 110.227 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 11.6 tpp180 -125.35 128.98 49.02 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.598 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -134.55 138.44 44.62 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.39 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.005 -0.434 . . . . 0.0 111.447 -174.224 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.635 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -81.13 -56.83 3.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.376 -1.453 . . . . 0.0 109.705 177.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.2 mm-40 -151.66 169.01 23.21 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.845 0.831 . . . . 0.0 111.218 -173.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.51 133.05 50.9 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 100.366 -3.939 . . . . 0.0 100.366 176.492 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.19 36.18 Favored Glycine 0 C--N 1.294 -1.768 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.79 137.38 33.22 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 122.804 1.288 . . . . 0.0 109.104 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.677 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -108.32 134.66 50.83 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.377 -175.018 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 7.1 m-85 -110.99 137.53 48.5 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' CD2' ' HB3' ' A' ' 9' ' ' LEU . 7.1 tt -119.22 136.38 54.24 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 119.92 -1.738 . . . . 0.0 107.305 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.59 ' CE ' ' CB ' ' A' ' 6' ' ' GLU . 7.8 ttt -129.85 142.89 50.6 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -42.14 -56.79 2.74 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.115 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.3 tp10 -86.07 -8.86 57.6 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.919 -175.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -160.62 162.95 32.93 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.33 -2.106 . . . . 0.0 111.882 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.614 HG13 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -109.72 128.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -113.53 155.68 24.94 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.344 -0.848 . . . . 0.0 110.512 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.723 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 25.9 t90 -138.16 140.81 40.01 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.813 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.592 ' CB ' ' HA ' ' A' ' 41' ' ' PHE . . . -150.62 135.83 10.12 Favored Pre-proline 0 C--N 1.294 -1.836 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.821 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER -111.47 -56.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.285 0 O-C-N 123.888 1.467 . . . . 0.0 108.522 177.378 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.35 94.36 1.08 Allowed 'General case' 0 C--N 1.308 -1.219 0 O-C-N 121.514 -0.741 . . . . 0.0 109.145 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 -166.62 14.32 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.164 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.47 -22.37 12.57 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.251 -1.147 . . . . 0.0 109.789 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' O ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -72.42 156.79 38.68 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.8 mpt_? -47.72 -26.85 1.71 Allowed 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 122.02 0.914 . . . . 0.0 108.722 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -160.04 -175.9 5.36 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.761 0.791 . . . . 0.0 109.851 178.079 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.708 ' N ' ' O ' ' A' ' 33' ' ' TRP . 1.3 t -91.54 -37.62 13.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.759 -0.588 . . . . 0.0 109.61 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -142.69 171.72 9.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 O-C-N 120.93 -1.107 . . . . 0.0 109.836 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.53 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -162.03 115.22 1.8 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.589 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 120.889 -1.132 . . . . 0.0 110.266 -178.75 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.07 108.82 3.71 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.72 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -39.15 -41.75 0.87 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.743 -0.598 . . . . 0.0 110.846 -178.395 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . . . -66.18 -46.23 78.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.159 -1.588 . . . . 0.0 108.229 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' MET . 3.0 m-20 -47.29 -31.39 3.79 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 2.9 pp -109.55 153.32 11.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.386 -177.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 9.1 tptt -144.57 102.99 3.89 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 117.489 -1.684 . . . . 0.0 110.907 177.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.622 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.19 128.72 0.02 OUTLIER 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' A' ' 100' ' ' LEU . 10.6 mm-40 -144.09 125.27 14.57 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 117.755 -1.578 . . . . 0.0 110.84 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -141.42 111.82 6.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.537 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 1.6 mp -126.27 102.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.673 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -119.4 19.49 0.08 OUTLIER Pre-proline 0 C--N 1.301 -1.542 0 O-C-N 121.365 -0.835 . . . . 0.0 111.89 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 56' ' ' SER . 1.9 Cg_endo -63.5 -10.2 20.88 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 115.696 -2.403 . . . . 0.0 110.812 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -22.59 3.95 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.319 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.07 17.49 2.34 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 6.1 mmtm -79.93 -122.52 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.647 -1.502 . . . . 0.0 110.833 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.523 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -121.31 -46.17 2.3 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 120.775 -1.203 . . . . 0.0 110.513 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.699 ' HG2' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -159.49 44.24 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 118.309 -1.356 . . . . 0.0 112.447 -179.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.614 ' CG1' ' CD1' ' A' ' 79' ' ' PHE 0.326 0.0 OUTLIER 75.31 83.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 123.859 1.79 . . . . 0.0 113.041 178.971 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.501 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -124.01 134.65 53.4 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.887 -1.96 . . . . 0.0 108.232 178.57 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.58 163.56 23.14 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.542 -1.349 . . . . 0.0 110.06 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -146.09 131.61 18.76 Favored 'General case' 0 C--N 1.314 -0.94 0 O-C-N 121.301 -0.875 . . . . 0.0 111.218 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -136.27 150.21 48.83 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -178.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.622 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.0 t -128.3 157.82 40.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 123.268 1.508 . . . . 0.0 111.405 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.79 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -90.07 146.66 24.16 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.558 -176.561 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 80.7 m-70 -45.6 -32.5 2.36 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.33 -154.28 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.373 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.81 51.79 0.68 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.556 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.1 t0 -128.79 128.67 44.42 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 6.6 m -108.5 163.28 13.36 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 9.7 m -128.14 112.5 14.62 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -109.45 136.09 49.42 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.723 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -145.72 143.96 30.07 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.704 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 60.8 t-80 -141.4 164.06 31.25 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.144 0.973 . . . . 0.0 110.89 -177.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.704 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 22.5 m-85 -123.59 130.17 52.26 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -179.04 -21.93 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.063 0 O-C-N 118.55 -2.593 . . . . 0.0 110.935 178.367 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.581 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -28.84 -90.55 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.909 -0.494 . . . . 0.0 111.424 -176.657 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' O ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -60.62 -114.25 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -150.1 88.34 1.52 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.51 ' OG1' ' HG3' ' A' ' 88' ' ' GLU . 1.5 t -150.3 10.67 0.68 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 109.582 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 62' ' ' LYS . . . -67.69 78.96 0.19 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 122.811 1.291 . . . . 0.0 108.753 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.513 ' CG2' ' OE2' ' A' ' 88' ' ' GLU . 13.1 m -150.98 -143.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -40.48 -56.23 2.1 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 121.447 -0.783 . . . . 0.0 110.873 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' OE2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -38.95 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.236 1.017 . . . . 0.0 110.443 -179.477 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.6 ' HD2' ' CD2' ' A' ' 79' ' ' PHE . 6.6 mmt180 -56.65 -42.27 78.65 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 4.0 t70 -54.86 -13.05 0.93 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -95.55 -37.94 10.65 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.498 ' CG2' ' CG1' ' A' ' 12' ' ' VAL . 13.4 t -58.19 -50.97 76.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 ttpp -56.86 -50.87 71.16 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 91' ' ' ALA . 35.7 t70 -41.08 -29.18 0.11 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 91' ' ' ALA . 1.2 mt -85.06 -43.72 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' A' ' 93' ' ' LYS . 20.7 mt -38.67 -66.13 0.3 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.223 1.011 . . . . 0.0 110.186 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.62 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.79 -2.08 0.5 Allowed 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.514 -0.741 . . . . 0.0 110.671 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -103.3 -23.79 13.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.955 -1.091 . . . . 0.0 110.167 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.647 ' CD1' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -92.6 -34.98 13.8 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 120.85 -1.156 . . . . 0.0 109.437 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.594 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -48.87 -36.26 12.61 Favored Pre-proline 0 C--N 1.305 -1.334 0 C-N-CA 118.559 -1.257 . . . . 0.0 108.385 -178.06 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -70.58 -11.04 29.13 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.287 1.677 . . . . 0.0 111.424 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.49 -47.64 19.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 111.164 -178.543 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.72 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -101.83 5.53 41.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.568 -0.708 . . . . 0.0 110.408 -177.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.531 ' CG ' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -126.56 20.63 7.23 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.036 -1.04 . . . . 0.0 109.512 179.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -144.19 -2.06 0.91 Allowed 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.665 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.8 164.96 27.62 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 120.812 -1.18 . . . . 0.0 109.588 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.28 -16.84 20.15 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.6 t30 . . . . . 0 C--N 1.305 -1.355 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.439 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.319 0.58 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.77 -65.51 0.55 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.2 -0.938 . . . . 0.0 109.446 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -54.24 134.58 44.78 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.262 -0.899 . . . . 0.0 109.5 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 3' ' ' THR . 1.2 m -56.5 -162.6 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.565 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -119.61 -57.28 1.99 Allowed 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.143 -0.973 . . . . 0.0 109.868 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.465 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 14.4 tp10 -66.15 163.6 17.31 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.295 1.045 . . . . 0.0 110.272 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 2.9 mt-10 -119.65 110.95 17.44 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.148 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 m -98.91 155.39 3.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.64 -1.288 . . . . 0.0 109.618 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 33.5 tp -98.46 -28.92 13.4 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 112.813 -176.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' LEU . 29.5 tp -177.48 145.13 0.42 Allowed 'General case' 0 C--O 1.208 -1.113 0 O-C-N 119.283 -2.136 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.634 HG13 ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.1 141.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.38 -0.825 . . . . 0.0 109.675 179.568 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.589 HG21 ' CG2' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -116.67 103.92 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 121.911 0.862 . . . . 0.0 108.949 178.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.73 -18.79 9.05 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.242 1.02 . . . . 0.0 110.241 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' HD3' ' A' ' 13' ' ' LYS . 1.4 tptp -113.61 118.65 34.99 Favored 'General case' 0 C--N 1.278 -2.513 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.063 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.699 ' CG2' ' HB2' ' A' ' 24' ' ' LEU . 4.9 t -151.07 148.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.361 174.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.1 ttm180 -122.86 146.11 47.85 Favored 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.598 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.4 pt20 -148.25 133.87 18.8 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.72 -23.64 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.196 0 O-C-N 121.766 -0.584 . . . . 0.0 111.116 -174.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.598 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -79.54 -55.36 5.1 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.561 -1.337 . . . . 0.0 110.181 178.102 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.593 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 45.7 mm-40 -151.75 168.7 24.21 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.527 0.68 . . . . 0.0 110.196 -175.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.578 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -105.97 128.42 53.8 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 101.924 -3.362 . . . . 0.0 101.924 176.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.67 165.77 35.79 Favored Glycine 0 C--N 1.299 -1.492 0 C-N-CA 119.902 -1.142 . . . . 0.0 111.355 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.27 131.9 34.68 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 123.287 1.517 . . . . 0.0 111.138 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.699 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -107.57 135.46 48.99 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.367 -1.742 . . . . 0.0 108.499 -175.691 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.634 ' CE2' HG13 ' A' ' 11' ' ' ILE . 3.6 m-85 -115.75 136.35 53.14 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -112.91 132.03 55.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.138 -1.601 . . . . 0.0 106.754 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.532 ' HE1' ' CD ' ' A' ' 30' ' ' ARG . 1.2 ttp -122.73 152.25 40.77 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.71 -55.19 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.03 -0.419 . . . . 0.0 110.906 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' GLU . 2.8 tt0 -104.7 -0.41 27.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.42 -1.425 . . . . 0.0 112.389 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -155.29 162.65 40.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 119.191 -2.193 . . . . 0.0 113.427 -178.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.2 mt -109.65 131.71 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.415 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -115.72 160.72 19.7 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.944 0.878 . . . . 0.0 110.761 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.688 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 21.4 t90 -136.53 145.41 45.03 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.322 1.058 . . . . 0.0 110.942 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -150.9 104.68 3.02 Favored Pre-proline 0 C--N 1.29 -1.995 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.796 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 33' ' ' TRP . 1.5 Cg_endo -70.54 164.02 36.81 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.193 1.628 . . . . 0.0 110.587 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' A' ' 37' ' ' GLY . 18.9 mt-10 -65.72 -6.07 10.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.462 -0.774 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' C ' ' CG ' ' A' ' 38' ' ' LYS . . . -41.36 -94.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -157.46 -56.94 0.08 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.91 -1.347 . . . . 0.0 110.179 -179.567 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -53.63 82.03 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.401 -0.812 . . . . 0.0 111.685 -178.312 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.61 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -17.47 -46.07 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 39' ' ' ASP . 10.2 m-85 -111.23 146.29 37.21 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.568 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.627 HG23 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -125.78 -46.58 1.71 Allowed 'General case' 0 C--N 1.31 -1.112 0 O-C-N 121.457 -0.777 . . . . 0.0 109.849 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.638 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 2.7 pt -150.61 177.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 118.905 -1.118 . . . . 0.0 112.454 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -168.83 114.3 0.6 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.638 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.12 120.1 41.5 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.814 -1.179 . . . . 0.0 110.024 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.527 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -65.64 104.43 1.03 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.695 -0.628 . . . . 0.0 109.601 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.687 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -29.04 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.194 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -66.82 -46.17 76.02 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.123 -1.61 . . . . 0.0 108.874 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' MET . 76.3 m-20 -62.32 -12.38 20.65 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.606 ' CG2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -111.33 118.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' CE ' ' HB3' ' A' ' 104' ' ' LYS . 24.5 tptp -137.9 102.72 4.79 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 116.154 -2.219 . . . . 0.0 112.064 178.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.645 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 171.92 125.63 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.521 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 1.8 mt-30 -142.51 122.65 13.75 Favored 'General case' 0 C--N 1.281 -2.38 0 C-N-CA 116.947 -1.901 . . . . 0.0 111.575 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -131.91 113.66 13.71 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.395 -1.729 . . . . 0.0 108.094 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 2.0 pp -112.08 103.02 14.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.868 -1.145 . . . . 0.0 109.317 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.656 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -118.33 28.14 0.13 Allowed Pre-proline 0 C--N 1.304 -1.411 0 O-C-N 121.175 -0.953 . . . . 0.0 112.501 -179.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 56' ' ' SER . 3.9 Cg_exo -86.09 47.34 1.8 Allowed 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 114.977 -2.882 . . . . 0.0 110.367 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -92.7 -27.39 17.29 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.2 40.1 1.37 Allowed Glycine 0 CA--C 1.532 1.117 0 N-CA-C 107.422 -2.271 . . . . 0.0 107.422 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.538 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 2.4 mmtt -97.91 -139.05 0.29 Allowed 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.675 -0.897 . . . . 0.0 109.057 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -98.37 -25.99 14.63 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.641 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -171.47 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.356 1.074 . . . . 0.0 109.675 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.655 ' HA ' ' CB ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -158.28 84.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.346 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -175.687 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -109.12 131.25 55.25 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.583 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.08 165.98 14.55 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.802 -1.186 . . . . 0.0 111.313 -178.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -133.7 130.44 38.16 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.784 0.802 . . . . 0.0 110.529 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -134.46 130.37 36.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.645 ' HB ' ' HB2' ' A' ' 52' ' ' CYS . 2.0 t -109.95 158.37 10.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 122.955 1.359 . . . . 0.0 110.334 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -88.33 147.79 24.6 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.625 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 9.5 m-70 -46.9 -31.43 3.11 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -77.89 -149.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.095 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 52.94 0.6 Allowed Glycine 0 C--N 1.302 -1.354 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 69' ' ' LEU . 1.9 m-20 -127.98 141.06 51.63 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.235 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.02 155.07 21.33 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.829 0.824 . . . . 0.0 109.546 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -130.71 104.41 7.17 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -110.91 139.44 46.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.788 -1.195 . . . . 0.0 109.512 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.688 ' HZ ' ' CD1' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -141.79 153.73 44.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.625 1.203 . . . . 0.0 111.013 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.697 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -135.28 168.96 18.21 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.678 -1.147 . . . . 0.0 109.104 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.697 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 91.4 m-85 -135.74 148.79 48.96 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.331 -0.856 . . . . 0.0 109.613 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.601 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 t -177.05 117.62 0.11 Allowed 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.244 177.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 80' ' ' SER . 8.3 m120 -136.44 146.08 45.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 83' ' ' SER . 9.3 pt-20 -43.19 -32.96 0.82 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.55 -0.719 . . . . 0.0 109.532 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -143.02 7.56 1.62 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 0.0 111.22 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.614 ' O ' ' CG2' ' A' ' 84' ' ' THR . 1.2 m -122.46 31.55 6.08 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.496 -1.377 . . . . 0.0 107.417 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 80' ' ' SER . . . -93.1 28.54 2.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.71 -1.244 . . . . 0.0 113.611 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 87' ' ' LYS . 29.0 m -142.34 -123.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 119.279 -2.138 . . . . 0.0 112.62 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 tttt -34.21 -51.88 0.45 Allowed 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.494 -0.753 . . . . 0.0 110.722 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -41.68 -61.06 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.016 0.913 . . . . 0.0 109.767 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.624 ' HD3' ' CD2' ' A' ' 79' ' ' PHE . 1.9 mmp_? -64.52 -48.51 74.85 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.539 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 9.9 t0 -37.96 -45.23 0.86 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -66.97 -48.94 66.96 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.581 ' CG1' ' CZ ' ' A' ' 79' ' ' PHE . 24.4 t -41.18 -58.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.662 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.0 ttpp -63.79 -31.8 73.1 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.586 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.6 t70 -64.04 -13.6 48.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 99' ' ' LEU . 2.5 mm? -99.8 -47.12 5.16 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.588 ' CA ' HD13 ' A' ' 99' ' ' LEU . 12.3 mt -45.26 -66.09 0.45 Allowed 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.704 -0.622 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -62.23 -1.77 0.82 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.941 -1.099 . . . . 0.0 110.807 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.451 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -94.06 -38.66 11.02 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.861 -1.149 . . . . 0.0 109.199 179.635 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.687 HD12 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.11 -27.69 32.68 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 121.118 -0.989 . . . . 0.0 108.469 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.675 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 4.3 tp -43.65 -33.84 1.07 Allowed Pre-proline 0 C--N 1.31 -1.15 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 40.7 Cg_exo -76.27 -34.79 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.651 1.869 . . . . 0.0 110.537 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -49.23 -35.05 16.34 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.592 -0.692 . . . . 0.0 110.875 -179.474 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -118.33 -3.42 10.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.082 -178.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.577 ' HE3' ' HB2' ' A' ' 103' ' ' PHE . 8.4 mmtp -143.89 88.38 1.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.356 -0.84 . . . . 0.0 109.652 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -118.72 -55.81 2.17 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.058 -1.026 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -99.46 -165.43 1.23 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.289 -0.882 . . . . 0.0 109.527 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -139.9 -91.42 0.17 Allowed 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.265 -0.897 . . . . 0.0 109.395 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 C--N 1.305 -1.327 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.414 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 26' ' ' LEU . 3.4 p . . . . . 0 C--O 1.215 -0.752 0 CA-C-O 121.502 0.668 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD23 HD21 ' A' ' 26' ' ' LEU . 61.8 tp -99.13 -51.34 3.86 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.424 -0.797 . . . . 0.0 112.504 -177.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 52.6 tp -158.79 160.4 36.24 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 119.58 -1.95 . . . . 0.0 110.626 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -139.48 139.27 39.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 O-C-N 121.305 -0.872 . . . . 0.0 109.358 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 92' ' ' VAL . 9.8 m -122.0 102.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.927 0.87 . . . . 0.0 109.498 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.67 -18.56 12.65 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.844 0.83 . . . . 0.0 110.998 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -116.08 117.52 30.33 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.522 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.987 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.81 149.8 13.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.134 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -123.81 131.23 53.55 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.633 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 10.7 pt20 -138.63 136.62 36.12 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLN . 39.3 mttp -36.47 -23.69 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.91 -0.494 . . . . 0.0 111.095 -174.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -79.54 -57.51 3.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.524 -1.36 . . . . 0.0 109.65 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.631 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -151.92 169.34 22.54 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.689 0.757 . . . . 0.0 111.015 -174.25 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -105.55 129.76 53.75 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 100.265 -3.976 . . . . 0.0 100.265 176.097 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.605 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.73 165.99 35.92 Favored Glycine 0 C--N 1.296 -1.688 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.37 138.24 32.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 123.304 1.526 . . . . 0.0 110.561 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.111 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.3 mt -108.03 130.31 55.08 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.231 -1.804 . . . . 0.0 110.141 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.669 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -112.69 134.69 54.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.762 HD21 HD23 ' A' ' 9' ' ' LEU . 6.9 tp -114.74 130.74 56.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.575 -1.953 . . . . 0.0 107.439 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.552 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.72 153.57 31.13 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -38.23 -56.05 1.25 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.75 -0.594 . . . . 0.0 111.293 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tt0 -103.95 8.84 36.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.195 -1.566 . . . . 0.0 112.373 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG2' ' HB3' ' A' ' 27' ' ' MET . 0.3 OUTLIER -157.86 165.2 35.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 119.403 -2.06 . . . . 0.0 112.918 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.756 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -111.67 124.38 68.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.679 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -109.97 156.95 19.81 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.117 -0.989 . . . . 0.0 111.248 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 23.5 t90 -135.79 145.61 46.71 Favored 'General case' 0 C--O 1.199 -1.592 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.343 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.81 162.09 28.11 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.701 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.3 Cg_endo . . . . . 0 C--N 1.312 -1.377 0 O-C-N 123.918 1.483 . . . . 0.0 108.419 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 33' ' ' TRP . 1.5 t . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 121.17 0.509 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.758 HG23 HG23 ' A' ' 42' ' ' THR . 1.2 pp -147.51 177.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 O-C-N 121.189 -0.944 . . . . 0.0 111.258 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -166.68 119.9 1.03 Allowed 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.756 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -109.3 118.64 37.23 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 120.885 -1.135 . . . . 0.0 109.043 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.54 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -67.52 118.68 11.16 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.766 0.793 . . . . 0.0 110.259 -179.423 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.921 ' CE2' HD13 ' A' ' 99' ' ' LEU . 8.0 m-30 -40.61 -46.44 2.55 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.86 -0.525 . . . . 0.0 110.207 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -32.31 71.37 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.177 -1.577 . . . . 0.0 108.585 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 1.3 m-20 -68.94 -4.31 16.14 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.448 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 67' ' ' LEU . 36.4 pt -138.87 142.35 34.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.513 -0.742 . . . . 0.0 109.23 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 52' ' ' CYS . 21.6 tptp -144.67 103.56 3.94 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 119.413 -2.054 . . . . 0.0 112.961 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.661 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 10.5 t 172.61 132.01 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.779 ' NE2' HD13 ' A' ' 100' ' ' LEU . 37.4 mt-30 -144.0 125.17 14.54 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 117.359 -1.736 . . . . 0.0 111.439 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.669 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.196 -1.741 0 CA-C-O 118.867 -0.587 . . . . 0.0 112.05 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.799 HD11 ' HG3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER 89.19 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 123.196 1.474 . . . . 0.0 114.405 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.504 ' HB3' ' HD2' ' A' ' 78' ' ' HIS . 11.9 pt20 -129.45 129.83 45.13 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.021 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.782 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.1 165.47 12.87 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.883 -1.136 . . . . 0.0 110.069 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.92 132.03 20.43 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.386 -0.822 . . . . 0.0 110.735 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -136.96 151.84 49.47 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -125.76 158.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.296 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.892 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.68 143.35 26.82 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.655 -177.403 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.0 p80 -45.47 -31.67 1.85 Allowed 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -73.38 -153.71 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.44 51.8 0.68 Allowed Glycine 0 C--N 1.298 -1.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.626 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -129.61 132.77 46.85 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.455 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.093 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.41 162.93 13.48 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -133.61 107.1 7.78 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 3.4 m-20 -110.41 138.05 47.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.901 -1.124 . . . . 0.0 108.191 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.111 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.64 150.86 40.8 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.09 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.652 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 61.8 t-80 -143.08 152.74 42.19 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.451 1.119 . . . . 0.0 111.015 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 22.6 m-85 . . . . . 0 C--N 1.286 -2.174 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.216 -0.703 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.26 -140.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 O-C-N 121.2 -0.938 . . . . 0.0 112.012 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 mttm -35.01 -53.5 0.58 Allowed 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.732 -0.605 . . . . 0.0 111.924 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -38.58 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 122.989 1.376 . . . . 0.0 109.693 -179.251 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.799 ' HG3' HD11 ' A' ' 63' ' ' ILE . 6.2 mmt180 -59.3 -41.17 88.35 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 3.8 t0 -40.95 -59.02 1.55 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.551 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -61.56 -36.09 79.63 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.405 -0.809 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 38.9 t -49.52 -67.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.658 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -49.45 -48.89 47.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.551 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 16.9 t0 -44.85 -24.37 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.745 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 98' ' ' GLN . 4.1 mt -82.01 -50.36 9.2 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.9 mt -38.04 -63.8 0.45 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.744 0.783 . . . . 0.0 110.289 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -66.03 -4.21 6.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.466 -0.771 . . . . 0.0 110.096 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 95' ' ' LEU . 4.2 tt0 -88.8 -35.9 16.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.921 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.42 -25.71 22.52 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.056 -1.028 . . . . 0.0 108.366 178.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 tp -44.62 -29.17 0.49 Allowed Pre-proline 0 C--N 1.298 -1.67 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.0 Cg_exo -76.78 -4.69 15.23 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 O-C-N 124.35 1.711 . . . . 0.0 112.499 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 99' ' ' LEU . 7.9 mttt -86.88 -45.07 11.19 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 120.688 -1.257 . . . . 0.0 111.238 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 2.4 p90 . . . . . 0 C--N 1.297 -1.712 0 O-C-N 121.501 -0.749 . . . . 0.0 109.72 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.732 HG12 ' SD ' ' A' ' 27' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.215 -0.72 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CD2' ' A' ' 95' ' ' LEU . 23.4 tp -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.153 -1.019 . . . . 0.0 113.578 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.64 ' H ' HD23 ' A' ' 26' ' ' LEU . 24.5 tp -176.1 162.02 2.46 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.099 -2.25 . . . . 0.0 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.23 141.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 121.609 -0.682 . . . . 0.0 110.383 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.973 HG22 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -103.3 136.72 34.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.562 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -88.12 -34.18 17.98 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 116.434 2.013 . . . . 0.0 116.434 -173.605 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HD3' ' HD2' ' A' ' 13' ' ' LYS . 1.6 tptp -132.39 100.12 4.89 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 115.743 -2.383 . . . . 0.0 111.733 172.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 24' ' ' LEU . 21.8 t -109.54 161.54 7.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-O 122.873 1.32 . . . . 0.0 112.045 -174.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -124.03 122.0 36.73 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.482 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.734 ' NE2' ' CZ ' ' A' ' 77' ' ' PHE . 3.3 pt20 -127.61 142.61 51.31 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.44 -21.03 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 122.146 -0.346 . . . . 0.0 111.843 -173.74 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -93.25 -53.16 4.22 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.221 -1.549 . . . . 0.0 110.686 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.62 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -151.56 169.2 22.68 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.549 0.69 . . . . 0.0 110.587 -174.061 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.94 135.51 47.25 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 101.465 -3.532 . . . . 0.0 101.465 177.1 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.7 166.1 35.94 Favored Glycine 0 C--N 1.295 -1.727 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -176.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.58 138.71 33.25 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.283 -1.716 . . . . 0.0 107.208 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.013 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.38 134.42 51.21 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.127 -174.215 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-85 -115.85 136.27 53.2 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.38 139.33 51.01 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.451 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.732 ' SD ' HG12 ' A' ' 8' ' ' VAL . 6.2 ttt -136.95 150.62 48.28 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.59 -57.75 0.93 Allowed 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.37 0.605 . . . . 0.0 110.235 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.6 tp10 -87.23 -12.43 46.77 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.581 ' NH2' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -163.31 166.39 23.11 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.026 -2.296 . . . . 0.0 113.046 -179.307 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.615 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 mm -109.87 131.31 61.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.07 148.23 43.85 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.79 -1.194 . . . . 0.0 110.458 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.872 ' N ' HG22 ' A' ' 43' ' ' ILE . 24.7 t90 -125.26 136.54 53.63 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.52 165.24 17.97 Favored Pre-proline 0 C--N 1.298 -1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 111.72 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.4 Cg_endo . . . . . 0 C--N 1.316 -1.168 0 O-C-N 124.04 1.547 . . . . 0.0 108.772 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.872 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -137.82 161.4 33.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-O 121.855 0.836 . . . . 0.0 111.285 -178.468 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 24.2 p -168.69 102.52 0.4 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.668 ' NE2' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.37 120.04 41.31 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.164 -0.96 . . . . 0.0 108.71 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 2.4 mtt -69.12 115.13 8.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.685 0.755 . . . . 0.0 110.302 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.895 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.5 m-30 -40.62 -43.63 1.95 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.673 -0.642 . . . . 0.0 110.733 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.4 -37.14 77.38 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.895 -1.753 . . . . 0.0 108.159 177.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 2.2 m-20 -65.49 -3.32 4.24 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.478 -1.237 . . . . 0.0 109.944 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.974 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -139.09 138.25 41.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.5 -0.75 . . . . 0.0 109.49 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -147.07 103.89 3.64 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 116.638 -2.025 . . . . 0.0 112.907 178.265 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.649 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 6.5 t 173.17 132.0 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HG2' HD22 ' A' ' 100' ' ' LEU . 27.9 mp0 -143.84 123.5 13.31 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.151 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.556 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.947 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.842 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.039 HD13 ' C ' ' A' ' 89' ' ' ARG 0.334 0.0 OUTLIER 79.46 83.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.702 1.715 . . . . 0.0 112.255 179.911 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 12.1 pt20 -123.76 132.52 53.82 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 113.948 -1.478 . . . . 0.0 107.364 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.855 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -130.01 163.8 25.68 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.337 -1.477 . . . . 0.0 111.389 -178.753 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG2' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -148.03 125.51 11.68 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.675 0.75 . . . . 0.0 110.009 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.974 HD21 ' HB ' ' A' ' 50' ' ' ILE . 3.9 tt -130.61 154.84 47.45 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.066 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -127.66 157.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 117.611 -1.635 . . . . 0.0 111.623 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -88.41 147.31 24.77 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.579 -176.734 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.506 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 61.0 m-70 -46.86 -30.96 2.76 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.77 -154.42 0.08 Allowed 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.574 -1.194 . . . . 0.0 107.952 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.41 52.14 0.66 Allowed Glycine 0 C--N 1.298 -1.555 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.61 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 5.2 m-20 -128.23 130.71 48.37 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.066 HG23 HG22 ' A' ' 68' ' ' VAL . 3.0 m -108.02 164.53 12.2 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 29.3 m -130.69 109.98 11.03 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 2.0 m-20 -109.83 138.29 46.4 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.003 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.99 144.47 32.33 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.94 -179.326 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 35.4 t-80 -144.98 156.87 44.2 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.67 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.792 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.612 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.214 -0.796 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 87' ' ' LYS . 10.5 m -153.09 -141.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.388 -1.445 . . . . 0.0 112.518 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -34.57 -45.73 0.25 Allowed 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.954 -0.466 . . . . 0.0 110.348 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -45.28 -72.63 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.821 1.296 . . . . 0.0 108.957 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 1.039 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -63.63 -54.94 28.0 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -52.07 -12.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.248 -0.908 . . . . 0.0 110.514 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.027 ' O ' HD12 ' A' ' 95' ' ' LEU . . . -96.65 -34.81 11.25 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.793 -1.192 . . . . 0.0 109.709 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.973 HG11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.47 -40.12 77.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.035 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.835 ' HB2' HD12 ' A' ' 63' ' ' ILE . 4.6 ttpt -63.41 -60.83 2.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.523 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 44.8 t0 -43.01 -23.59 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.027 HD12 ' O ' ' A' ' 91' ' ' ALA . 1.2 mt -89.38 -43.61 10.78 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.031 -1.043 . . . . 0.0 108.225 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -41.05 -59.3 1.51 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.07 0.938 . . . . 0.0 109.889 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.679 HE22 ' HG2' ' A' ' 93' ' ' LYS . 11.1 mp0 -68.5 -0.68 5.31 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 110.076 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.56 -39.11 13.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.895 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.13 -24.03 30.43 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.159 -0.963 . . . . 0.0 108.924 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 ' CE2' ' A' ' 103' ' ' PHE . 13.7 mt -44.75 -52.25 19.08 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 34.8 Cg_exo -46.8 -39.23 23.93 Favored 'Trans proline' 0 C--N 1.297 -2.144 0 O-C-N 124.33 1.7 . . . . 0.0 110.867 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -49.4 -41.78 40.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.598 -0.689 . . . . 0.0 112.554 -178.193 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.448 0 O-C-N 120.755 -1.216 . . . . 0.0 110.273 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.672 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.823 HD21 ' CD1' ' A' ' 95' ' ' LEU . 24.2 tp -98.67 -39.09 8.85 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.937 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 HG13 ' A' ' 12' ' ' VAL . 5.8 tt -168.19 152.41 6.17 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.445 -2.034 . . . . 0.0 110.423 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.734 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -127.4 137.06 58.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.3 -0.875 . . . . 0.0 109.099 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.968 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -122.68 96.87 4.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 122.303 1.049 . . . . 0.0 109.082 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.72 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.79 -18.94 9.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.016 0.912 . . . . 0.0 110.262 179.471 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.4 tptt -113.87 116.73 29.76 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.091 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.33 146.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 118.131 -1.427 . . . . 0.0 109.215 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.622 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -122.08 139.97 53.09 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.686 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 6.8 pt20 -145.14 137.29 25.8 Favored 'General case' 0 C--N 1.279 -2.474 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -36.72 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.848 -0.532 . . . . 0.0 110.923 -174.693 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 17' ' ' GLN . 10.2 ptmt -81.5 -58.42 3.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.65 -1.281 . . . . 0.0 110.518 178.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.686 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.1 169.1 22.66 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 0.0 110.815 -174.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.622 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -105.84 129.85 53.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 101.451 -3.537 . . . . 0.0 101.451 176.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.05 166.29 36.25 Favored Glycine 0 C--N 1.298 -1.58 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.55 133.17 34.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 123.292 1.52 . . . . 0.0 110.451 -177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -107.86 132.61 53.27 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 113.113 -1.858 . . . . 0.0 109.547 -175.351 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CE1' HG13 ' A' ' 11' ' ' ILE . 13.6 m-85 -111.25 133.34 53.67 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -112.84 133.62 54.74 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.755 -1.841 . . . . 0.0 108.379 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.672 ' CE ' HG12 ' A' ' 8' ' ' VAL . 5.0 ttm -120.41 146.44 46.2 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.97 -58.21 2.91 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.182 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 4.0 tt0 -87.19 -2.11 58.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.456 -0.777 . . . . 0.0 112.948 -175.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.595 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -161.36 165.54 28.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.146 -2.221 . . . . 0.0 112.557 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.818 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -109.07 141.13 25.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -130.43 144.22 51.26 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.953 -1.092 . . . . 0.0 110.995 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.869 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 13.0 t90 -121.56 142.39 50.13 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.236 -0.985 . . . . 0.0 110.746 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.87 116.67 3.29 Favored Pre-proline 0 C--N 1.298 -1.648 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.419 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.658 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.1 Cg_endo . . . . . 0 C--N 1.312 -1.37 0 O-C-N 123.921 1.485 . . . . 0.0 109.043 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.681 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 120.885 0.374 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.869 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.8 156.16 6.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 C-N-CA 118.789 -1.164 . . . . 0.0 111.791 -179.549 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 62.5 m -164.18 101.48 0.86 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.508 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.818 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -110.19 115.98 30.7 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 121.17 -0.957 . . . . 0.0 108.88 178.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.595 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -69.01 118.11 11.51 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.874 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.3 m-30 -41.3 -44.67 2.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.817 -0.552 . . . . 0.0 109.712 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.86 76.42 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 119.712 -1.868 . . . . 0.0 108.127 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 22.7 m-20 -68.29 -3.81 12.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.996 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.089 HD13 ' CD2' ' A' ' 67' ' ' LEU . 2.7 pp -144.66 142.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.461 -0.774 . . . . 0.0 109.217 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HD2' ' C ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -143.27 103.78 4.18 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 119.112 -2.243 . . . . 0.0 112.299 178.541 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.903 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.08 134.41 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.987 ' CG ' HD11 ' A' ' 100' ' ' LEU . 3.2 mm-40 -143.58 122.7 12.9 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 117.823 -1.551 . . . . 0.0 110.963 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.663 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.301 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.754 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.857 HD13 ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 83.65 71.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-O 123.649 1.69 . . . . 0.0 113.407 177.584 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.45 133.72 55.07 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.383 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.896 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.49 165.62 14.71 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.939 -1.101 . . . . 0.0 110.124 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -140.87 136.9 32.8 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.904 0.859 . . . . 0.0 110.694 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.089 ' CD2' HD13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -140.62 148.7 41.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.2 t -126.7 157.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 123.336 1.541 . . . . 0.0 110.94 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -92.11 144.1 25.77 Favored 'General case' 0 C--N 1.277 -2.554 0 CA-C-N 113.549 -1.66 . . . . 0.0 109.046 -177.182 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.7 p80 -46.66 -30.48 2.36 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.42 -153.38 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.95 53.75 0.57 Allowed Glycine 0 C--N 1.292 -1.865 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.629 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 25.8 m-20 -129.42 131.64 46.81 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.086 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.04 165.12 11.59 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.5 m -140.82 105.86 4.98 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 3.1 m-20 -109.17 144.04 37.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -147.58 146.43 29.39 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.967 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.686 ' O ' HG13 ' A' ' 15' ' ' VAL . 60.1 t-80 -136.6 157.91 45.68 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.448 1.118 . . . . 0.0 110.911 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.968 ' HE2' HG21 ' A' ' 12' ' ' VAL . 54.4 m-85 . . . . . 0 C--N 1.287 -2.111 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.857 ' HB1' HD13 ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.439 -0.993 0 CA-C-O 122.768 1.27 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 2.3 t -150.55 -132.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.754 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -59.93 -45.51 92.36 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 111.057 -179.186 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -39.3 -73.11 0.05 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 122.835 1.302 . . . . 0.0 110.065 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.682 ' HG3' HD11 ' A' ' 63' ' ' ILE . 7.7 mmt180 -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 25.8 t0 -38.51 -55.15 1.44 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.54 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -62.8 -35.92 81.44 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.442 -0.786 . . . . 0.0 110.319 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 15.0 t -52.43 -61.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.679 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 12.6 tttp -55.18 -53.2 59.0 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.677 ' C ' HD23 ' A' ' 95' ' ' LEU . 4.1 t70 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.843 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -92.13 -44.72 8.65 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 120.7 -1.25 . . . . 0.0 108.315 178.295 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 26' ' ' LEU . 4.4 mt -36.42 -62.27 0.47 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 122.124 0.964 . . . . 0.0 110.075 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.679 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.88 0.3 0.89 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.802 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.61 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -95.08 -39.43 10.14 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.857 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -79.85 -31.95 40.48 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.393 -0.817 . . . . 0.0 109.446 179.242 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.987 HD11 ' CG ' ' A' ' 53' ' ' GLN . 1.1 mt -41.47 -39.46 2.31 Favored Pre-proline 0 C--N 1.304 -1.377 0 O-C-N 121.63 -0.669 . . . . 0.0 109.421 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 50.1 Cg_exo -66.93 0.13 4.07 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 O-C-N 124.663 1.875 . . . . 0.0 112.365 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.18 -45.29 8.73 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.936 -1.103 . . . . 0.0 111.618 -178.25 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.744 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.57 0 O-C-N 121.329 -0.857 . . . . 0.0 110.251 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 121.922 0.868 . . . . 0.0 108.7 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.036 ' CD2' HD12 ' A' ' 95' ' ' LEU . 17.1 tp -100.57 -30.85 11.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 26' ' ' LEU . 39.5 tp -174.52 152.11 1.64 Allowed 'General case' 0 C--O 1.214 -0.78 0 O-C-N 119.11 -2.244 . . . . 0.0 111.571 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.628 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 146.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.805 0.812 . . . . 0.0 111.174 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -124.38 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.45 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.856 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -60.01 -81.52 0.02 OUTLIER 'General case' 0 C--O 1.183 -2.42 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.518 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.9 104.82 14.38 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 118.524 -2.61 . . . . 0.0 115.466 -172.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.793 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.6 t -106.57 164.8 4.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.129 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -114.86 142.86 45.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.9 pt20 -143.66 147.77 34.8 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -36.5 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -101.85 -52.54 3.16 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.095 -1.628 . . . . 0.0 111.575 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.627 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.38 169.24 22.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.536 0.684 . . . . 0.0 111.147 -172.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.4 t70 -105.24 134.23 48.69 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 100.481 -3.896 . . . . 0.0 100.481 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 33' ' ' TRP . . . -161.51 166.53 36.0 Favored Glycine 0 C--N 1.291 -1.964 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.856 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.69 141.6 32.33 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.065 -1.844 . . . . 0.0 108.321 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.007 HD11 ' CG ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -108.9 125.23 51.79 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.668 -175.489 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.9 m-85 -111.37 135.86 51.33 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.92 139.35 51.27 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 1.2 ttp -138.91 146.68 41.38 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.62 -57.66 0.94 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.772 -0.58 . . . . 0.0 110.605 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.547 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.0 tt0 -86.63 -11.98 49.83 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.061 -1.056 . . . . 0.0 113.381 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -163.44 165.04 24.26 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 119.235 -2.166 . . . . 0.0 112.408 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.702 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -110.86 128.93 66.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -112.96 146.75 38.47 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 1.021 ' HB3' HG23 ' A' ' 43' ' ' ILE . 28.5 t90 -131.51 138.24 48.86 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.528 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.85 148.72 22.17 Favored Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.294 -0.878 . . . . 0.0 110.806 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.546 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.387 0 O-C-N 123.651 1.343 . . . . 0.0 109.401 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 1.0 HG23 HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.443 -0.782 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.293 HD11 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -149.14 157.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.751 0.786 . . . . 0.0 110.032 178.611 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.558 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -155.88 113.75 3.34 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 1.293 ' CE1' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.76 123.88 50.3 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.9 -1.125 . . . . 0.0 110.549 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -68.01 112.87 5.25 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.117 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.2 m-30 -40.16 -39.97 1.01 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.259 -0.9 . . . . 0.0 110.856 -177.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.33 -36.5 77.0 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 120.079 -1.638 . . . . 0.0 108.19 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 46' ' ' MET . 8.5 m-20 -63.77 -3.22 2.21 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.719 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.984 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.2 pt -139.11 135.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.512 -0.742 . . . . 0.0 109.172 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -138.63 103.49 4.87 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 119.732 -1.855 . . . . 0.0 112.032 178.848 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.83 130.23 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 176.104 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.828 ' NE2' HD22 ' A' ' 100' ' ' LEU . 11.4 mm-40 -143.99 120.94 11.34 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 117.048 -1.861 . . . . 0.0 112.056 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 178.237 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.942 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.994 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' O ' ' A' ' 62' ' ' LYS 0.306 0.0 OUTLIER 77.03 84.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 123.19 1.472 . . . . 0.0 111.012 179.772 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 3.9 pt20 -127.82 132.54 49.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.503 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.888 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -125.94 162.04 26.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 109.717 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 2.5 tt0 -149.86 128.49 12.36 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.348 -0.845 . . . . 0.0 110.671 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.984 HD21 ' HB ' ' A' ' 50' ' ' ILE . 2.2 tt -136.09 153.1 51.42 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.973 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -126.82 158.06 37.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-O 123.354 1.55 . . . . 0.0 111.776 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -87.74 144.73 26.47 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.113 -177.397 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.7 p-80 -46.46 -31.27 2.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -77.09 -154.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.85 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 51.19 0.72 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.562 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.3 t0 -128.6 129.38 45.84 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.973 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.49 163.92 12.8 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.46 HG21 ' CE1' ' A' ' 45' ' ' HIS . 3.9 m -135.1 106.0 6.58 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 5.2 m-20 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.007 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.66 143.17 33.47 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 117.895 -1.522 . . . . 0.0 110.626 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.715 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 66.7 t-80 -145.55 145.11 30.89 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.436 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.727 ' CD2' HG22 ' A' ' 15' ' ' VAL . 13.1 m-85 . . . . . 0 C--N 1.277 -2.584 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 122.6 1.19 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -150.63 -148.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.284 -2.26 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.055 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -49.83 -28.09 5.94 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.401 -0.812 . . . . 0.0 110.408 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -56.51 -72.05 0.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.907 ' C ' HD13 ' A' ' 63' ' ' ILE . 3.3 mmt180 -56.59 -37.91 71.27 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -58.57 -17.84 24.92 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.053 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 88' ' ' GLU . . . -84.46 -39.75 18.55 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 176.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 10' ' ' LEU . 48.9 t -59.12 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' O ' ' OE1' ' A' ' 97' ' ' GLN . 2.6 ttpt -44.15 -37.19 2.98 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.44 -0.787 . . . . 0.0 108.939 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' A' ' 91' ' ' ALA . 2.5 m-20 -53.96 -30.64 47.66 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.036 HD12 ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? -92.81 -41.87 9.86 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.165 -0.959 . . . . 0.0 109.585 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 26' ' ' LEU . 11.7 mt -44.45 -67.98 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.235 -0.916 . . . . 0.0 112.056 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.548 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.12 -1.31 0.3 Allowed 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.482 -1.387 . . . . 0.0 110.538 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 95' ' ' LEU . 4.2 tt0 -93.45 -36.43 12.47 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.044 -1.035 . . . . 0.0 109.663 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -85.53 -25.08 27.0 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 120.799 -1.188 . . . . 0.0 110.011 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.828 HD22 ' NE2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -50.09 -33.66 8.34 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 120.832 -1.168 . . . . 0.0 108.558 -178.388 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -73.23 -5.43 17.15 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.251 1.658 . . . . 0.0 111.203 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 3.4 tttp -80.66 -42.67 21.68 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 111.683 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 0.0 110.298 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.005 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.75 0 CA-C-O 121.625 0.726 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.0 tp -98.82 -27.17 14.05 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.629 -177.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 37.2 tp -173.5 160.61 3.89 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 119.252 -2.155 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.18 133.51 34.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.78 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -116.64 96.5 4.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.78 -1.2 . . . . 0.0 109.554 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.761 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 2.0 mptt -50.18 -19.63 0.82 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.4 tptp -113.14 110.46 20.46 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.379 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.993 HG21 ' HB2' ' A' ' 24' ' ' LEU . 50.8 t -150.56 144.7 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.34 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.562 175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -125.67 142.83 51.31 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.73 ' NE2' ' CE2' ' A' ' 33' ' ' TRP . 14.9 pt20 -140.41 136.22 32.85 Favored 'General case' 0 C--N 1.278 -2.513 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -36.17 -22.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.961 -0.462 . . . . 0.0 111.618 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptmm? -81.67 -53.17 6.45 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.336 -1.477 . . . . 0.0 109.882 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 8.2 tp60 -151.45 168.48 24.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.967 -173.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.726 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -105.63 133.76 49.84 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 101.365 -3.569 . . . . 0.0 101.365 176.295 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.43 166.04 36.38 Favored Glycine 0 C--N 1.301 -1.402 0 C-N-CA 120.172 -1.013 . . . . 0.0 110.753 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -85.4 133.6 34.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.519 1.152 . . . . 0.0 109.178 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -107.99 141.31 39.84 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.179 -175.078 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 11' ' ' ILE . 11.7 m-85 -116.47 135.91 53.43 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.768 HD12 HD11 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -112.37 137.21 50.85 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.472 -1.393 . . . . 0.0 107.374 178.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 1.005 ' SD ' HG12 ' A' ' 8' ' ' VAL . 2.7 ttp -134.18 138.91 45.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.18 -56.0 0.95 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.733 -0.604 . . . . 0.0 110.192 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 1.1 tp10 -87.34 -14.27 41.22 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.383 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -159.08 163.72 36.01 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.299 -2.126 . . . . 0.0 112.422 -178.799 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.768 HD11 HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -109.85 124.28 66.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.936 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -109.28 153.71 23.49 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.477 -0.764 . . . . 0.0 109.688 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.821 ' CE3' HG21 ' A' ' 42' ' ' THR . 22.7 t90 -132.28 141.13 48.87 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.367 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.33 117.19 3.21 Favored Pre-proline 0 C--N 1.295 -1.795 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.023 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 O-C-N 123.979 1.515 . . . . 0.0 109.904 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.821 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.781 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -150.77 177.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.103 -1.039 . . . . 0.0 111.614 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -170.22 112.57 0.44 Allowed 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.502 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.781 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.13 129.16 55.48 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.723 -1.236 . . . . 0.0 110.265 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -74.09 107.83 6.52 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.52 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 99' ' ' LEU . 4.1 m-30 -31.06 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -67.29 -46.05 74.74 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 119.965 -1.709 . . . . 0.0 108.074 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 16.5 m-20 -65.9 -5.62 9.8 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.317 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.903 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -123.1 114.55 42.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -141.8 103.55 4.37 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 115.982 -2.287 . . . . 0.0 113.428 178.667 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.687 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 1.6 t 172.73 138.66 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 52' ' ' CYS . 6.4 mp0 -143.27 120.98 11.86 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.663 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.055 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.626 ' CD ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.358 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -157.39 83.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 120.635 -1.291 . . . . 0.0 113.272 -176.789 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 78' ' ' HIS . 12.1 pt20 -108.56 131.37 54.92 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 118.862 -2.399 . . . . 0.0 107.37 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.866 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -109.03 171.16 7.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.717 -1.239 . . . . 0.0 112.861 -176.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.61 127.15 28.79 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.951 0.881 . . . . 0.0 110.63 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD21 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -129.56 133.66 47.32 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.237 -2.135 . . . . 0.0 105.237 179.287 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.698 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -111.89 157.19 12.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 117.7 -1.6 . . . . 0.0 111.18 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.721 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.59 147.2 27.88 Favored 'General case' 0 C--N 1.28 -2.435 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.765 -178.681 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.0 p80 -49.15 -33.21 11.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.02 -153.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.97 53.32 0.59 Allowed Glycine 0 C--N 1.301 -1.381 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HD23 ' A' ' 69' ' ' LEU . 18.2 m-20 -127.68 139.9 52.42 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.8 160.1 16.24 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 119.66 -0.816 . . . . 0.0 108.968 -178.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 67' ' ' LEU . 86.1 m -133.74 104.46 6.34 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 14.4 m-20 -109.77 146.35 35.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.842 -1.161 . . . . 0.0 108.974 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.999 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.8 141.08 22.31 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.962 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.686 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 26.5 t-80 -130.45 165.22 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.308 1.052 . . . . 0.0 113.163 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.035 ' HB2' HD11 ' A' ' 63' ' ' ILE . 13.7 m-85 . . . . . 0 C--O 1.207 -1.144 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 122.531 1.158 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 1.6 t -150.71 -145.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.415 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' H ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -46.2 -40.97 12.11 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.924 -1.11 . . . . 0.0 110.324 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.91 -1.119 . . . . 0.0 110.025 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.599 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.8 mmt180 -61.95 -56.25 21.07 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 6.3 t70 -35.84 -48.14 0.54 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -62.03 -54.04 47.05 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.895 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 39.0 t -38.31 -58.74 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.649 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 27.1 ttpp -59.12 -52.24 66.57 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -47.51 -19.67 0.19 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 5.5 mt -89.04 -45.29 9.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 65' ' ' LEU . 10.8 mt -40.56 -61.12 0.98 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.884 0.849 . . . . 0.0 109.919 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.649 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.4 -0.13 7.67 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.576 -0.703 . . . . 0.0 110.018 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 4.5 tt0 -93.16 -27.79 16.69 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.742 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -92.35 -23.74 19.14 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.802 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.785 HD13 ' C ' ' A' ' 100' ' ' LEU . 2.7 tm? -45.61 -33.93 2.25 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 100' ' ' LEU . 41.2 Cg_exo -68.78 -1.37 7.54 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 124.069 1.563 . . . . 0.0 111.983 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.7 tttm -87.98 -44.22 11.17 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 112.617 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.665 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -176.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 121.657 0.742 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 9' ' ' LEU . 20.0 tp -98.74 -32.68 11.26 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.715 -0.794 . . . . 0.0 112.624 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 42.0 tp -175.93 147.21 0.75 Allowed 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.245 -2.159 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.29 141.42 33.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.496 -0.752 . . . . 0.0 109.71 179.253 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.15 117.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 177.514 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.026 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 16.8 ttmt -58.17 -83.27 0.01 OUTLIER 'General case' 0 C--O 1.186 -2.242 0 C-N-CA 116.729 -1.989 . . . . 0.0 108.482 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -49.77 133.85 21.2 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 119.735 -1.853 . . . . 0.0 111.943 -178.482 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.012 HG21 ' HB2' ' A' ' 24' ' ' LEU . 5.6 t -151.14 150.86 12.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.968 172.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 8.3 tpp180 -122.2 132.89 54.67 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.72 ' NE2' ' CE2' ' A' ' 33' ' ' TRP . 16.3 pt20 -137.03 130.24 31.09 Favored 'General case' 0 C--N 1.275 -2.667 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mttp -36.37 -22.42 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.656 -0.652 . . . . 0.0 111.868 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 13.6 ptmm? -80.66 -53.44 6.53 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.358 -1.464 . . . . 0.0 110.348 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.636 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 40.0 tt0 -152.0 168.29 25.7 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.575 -0.703 . . . . 0.0 110.116 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -106.43 132.01 52.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 101.544 -3.502 . . . . 0.0 101.544 175.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.583 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.81 166.11 36.01 Favored Glycine 0 C--N 1.291 -1.946 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.026 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.48 134.05 34.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.873 1.321 . . . . 0.0 111.539 -176.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.012 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.03 135.35 50.34 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.848 -176.059 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.65 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -115.89 141.79 47.63 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -120.29 138.19 53.83 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 178.23 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.749 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.5 ttp -144.76 144.26 31.09 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.5 -47.19 0.61 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.874 0.845 . . . . 0.0 109.196 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 2.0 tp10 -85.14 -31.45 23.28 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.375 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -162.13 166.49 25.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 119.733 -1.854 . . . . 0.0 113.386 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.608 HG22 ' NE2' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -108.99 131.77 58.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.086 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.688 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -114.92 156.98 24.0 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.081 -1.012 . . . . 0.0 111.369 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.877 ' CE3' HG21 ' A' ' 42' ' ' THR . 15.5 t90 -129.56 137.46 50.76 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.685 -0.635 . . . . 0.0 109.376 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.88 148.52 21.8 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 121.397 -0.815 . . . . 0.0 110.835 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.376 0 O-C-N 123.754 1.397 . . . . 0.0 109.638 178.887 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.889 HG23 HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.889 HG23 HG23 ' A' ' 42' ' ' THR . 1.1 pt -151.1 175.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.778 0.799 . . . . 0.0 111.283 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 p -159.61 128.21 5.07 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.776 ' ND1' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -109.13 104.75 13.99 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.68 -1.263 . . . . 0.0 108.976 -179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.662 ' N ' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.52 103.53 0.86 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.076 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.743 ' OH ' HD22 ' A' ' 96' ' ' LEU . 3.8 m-30 -32.29 -39.21 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 122.085 -0.384 . . . . 0.0 111.899 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -68.39 -46.15 70.79 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 120.014 -1.679 . . . . 0.0 108.479 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.846 ' C ' HD13 ' A' ' 50' ' ' ILE . 14.7 m-20 -65.73 -5.68 9.38 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.928 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -122.06 116.63 49.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.339 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' VAL . 5.9 tptp -136.66 102.93 5.06 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 115.708 -2.397 . . . . 0.0 113.259 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.674 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 5.4 t 172.18 131.33 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 100' ' ' LEU . 19.0 mm-40 -142.95 127.69 18.16 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 116.599 -2.04 . . . . 0.0 112.689 -176.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.297 -1.675 0 CA-C-N 113.236 -1.802 . . . . 0.0 106.374 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.827 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.197 -1.68 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.011 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 0.8 OUTLIER 79.42 80.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 121.708 2.049 . . . . 0.0 113.814 -179.176 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 2.9 pt20 -124.56 130.75 53.02 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.086 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.65 163.93 22.39 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.264 -1.522 . . . . 0.0 111.474 -179.269 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -144.98 129.28 17.77 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.305 -0.872 . . . . 0.0 110.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.928 HD21 ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -134.79 149.45 50.4 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 74' ' ' THR . 2.8 t -122.09 158.04 26.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.593 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.56 146.94 28.05 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.447 -178.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.8 p80 -48.69 -35.07 13.14 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.26 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.229 178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.4 51.97 0.67 Allowed Glycine 0 C--N 1.303 -1.251 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 m-20 -128.18 140.5 51.88 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.287 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.899 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.96 155.88 20.36 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.075 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.776 HG21 ' ND1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -126.78 105.26 8.54 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 178.017 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -111.37 138.63 47.62 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 108.592 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.972 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.11 144.32 29.92 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 118.398 -1.321 . . . . 0.0 110.595 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.723 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 52.7 t-80 -132.13 157.86 43.13 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.422 1.106 . . . . 0.0 109.971 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.886 ' HB2' HG23 ' A' ' 63' ' ' ILE . 67.2 m-85 . . . . . 0 C--N 1.282 -2.331 0 CA-C-O 122.115 0.96 . . . . 0.0 111.539 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 120.944 0.402 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -153.95 -141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 120.993 -1.067 . . . . 0.0 113.168 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 3.7 mptt -43.48 -33.92 1.22 Allowed 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.196 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -36.61 -72.98 0.05 Allowed 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 122.239 1.019 . . . . 0.0 109.878 -178.337 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.683 ' HG2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -81.82 -27.33 33.67 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 1.011 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -49.99 -21.17 1.13 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 176.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -88.47 -46.96 8.7 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 104.298 -2.482 . . . . 0.0 104.298 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.9 t -38.78 -51.43 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.59 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 7.7 tttp -60.39 -56.47 21.11 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 91' ' ' ALA . 11.7 t70 -39.23 -24.3 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.778 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER -89.4 -42.97 11.21 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.628 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.743 HD22 ' OH ' ' A' ' 47' ' ' TYR . 5.5 mt -41.06 -58.98 1.6 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.491 0.662 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.511 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -70.87 -1.43 11.73 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.622 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.96 -28.34 16.49 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.92 -26.06 17.76 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 121.355 -0.841 . . . . 0.0 109.237 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG3' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -42.13 -33.69 0.63 Allowed Pre-proline 0 C--N 1.305 -1.368 0 O-C-N 121.434 -0.791 . . . . 0.0 109.38 -178.076 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.4 Cg_exo -73.72 2.76 5.53 Favored 'Trans proline' 0 C--N 1.301 -1.942 0 O-C-N 124.476 1.777 . . . . 0.0 111.565 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.9 ttmt -89.96 -48.22 7.35 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.448 -0.782 . . . . 0.0 111.646 -177.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.647 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.297 -1.709 0 O-C-N 121.656 -0.652 . . . . 0.0 109.851 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 p . . . . . 0 C--O 1.214 -0.764 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.961 ' CD2' HD21 ' A' ' 99' ' ' LEU . 9.2 tp -99.05 -55.38 2.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.681 -0.808 . . . . 0.0 113.117 -175.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 43.9 tp -159.06 149.99 19.98 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 119.501 -1.999 . . . . 0.0 111.792 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.984 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.36 129.86 75.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.024 HG11 ' CG2' ' A' ' 92' ' ' VAL . 3.3 m -127.41 131.98 69.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.957 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -80.83 -81.24 0.13 Allowed 'General case' 0 C--O 1.19 -2.027 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.042 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 115.01 1.21 Allowed 'General case' 0 C--N 1.267 -2.979 0 O-C-N 119.941 -1.724 . . . . 0.0 112.074 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.1 t -142.79 145.8 22.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.605 172.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -124.11 130.73 53.05 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.601 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.8 pt20 -136.95 135.73 37.95 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.5 mttt -36.17 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.817 -0.552 . . . . 0.0 111.727 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 ptpt -83.45 -55.13 4.48 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.288 -1.508 . . . . 0.0 110.406 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 23.3 mm100 -151.38 168.89 23.42 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.816 0.817 . . . . 0.0 111.456 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -105.9 127.77 53.35 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 101.155 -3.646 . . . . 0.0 101.155 176.501 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.815 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.06 166.78 36.47 Favored Glycine 0 C--N 1.297 -1.59 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.957 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 155.29 22.12 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.527 -1.572 . . . . 0.0 111.906 -176.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.029 ' HB2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt -118.09 121.97 41.92 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.214 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CE1' HG13 ' A' ' 11' ' ' ILE . 22.1 m-85 -110.21 124.77 52.19 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.85 HD12 HD11 ' A' ' 31' ' ' ILE . 10.3 tt -112.69 134.18 54.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 119.659 -1.901 . . . . 0.0 110.25 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.54 ' CE ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -109.88 153.39 24.53 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.62 -55.25 1.14 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.629 -0.67 . . . . 0.0 111.685 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -103.29 18.17 22.39 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 120.254 -1.529 . . . . 0.0 112.313 -177.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.573 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.7 OUTLIER -163.85 166.86 21.43 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.005 -1.684 . . . . 0.0 112.636 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.85 HD11 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -114.44 146.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -138.31 146.4 42.37 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.574 -1.329 . . . . 0.0 112.254 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.884 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 11.6 t90 -113.64 146.63 39.47 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.923 0.868 . . . . 0.0 110.643 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.63 112.58 2.97 Favored Pre-proline 0 C--N 1.3 -1.574 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.1 Cg_endo . . . . . 0 C--N 1.312 -1.358 0 O-C-N 124.036 1.545 . . . . 0.0 108.71 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.699 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 120.843 0.354 . . . . 0.0 110.527 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.764 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -145.0 151.06 15.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 120.88 -1.137 . . . . 0.0 110.6 -178.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.2 t -158.93 109.88 2.07 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.325 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.623 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -121.52 117.47 26.89 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 121.251 -0.905 . . . . 0.0 109.339 178.757 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.588 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.3 mtt -61.56 127.67 32.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HE2' HD13 ' A' ' 99' ' ' LEU . 1.7 m-85 -46.07 -46.28 16.72 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.769 -1.207 . . . . 0.0 109.923 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.13 67.58 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.988 -1.695 . . . . 0.0 108.337 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.7 m-20 -65.73 -4.89 7.19 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.687 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.911 ' CG2' HD22 ' A' ' 69' ' ' LEU . 22.1 pt -142.53 136.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -132.3 103.47 6.23 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.281 -2.137 . . . . 0.0 111.827 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.745 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 172.82 132.4 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.964 ' CG ' HD13 ' A' ' 100' ' ' LEU . 21.8 mp0 -143.83 131.36 21.11 Favored 'General case' 0 C--N 1.285 -2.215 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.154 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.301 -1.512 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 1.257 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.19 -2.075 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.257 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 112.25 80.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 120.347 1.43 . . . . 0.0 112.698 177.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 10.3 pt20 -123.91 134.46 53.53 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.883 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.15 167.21 15.72 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.616 -1.303 . . . . 0.0 109.899 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -148.79 137.66 21.44 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 120.862 -1.148 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -137.59 150.7 47.64 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 74' ' ' THR . 2.9 t -126.66 158.78 36.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.127 -1.429 . . . . 0.0 110.81 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.77 140.79 30.06 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.514 -177.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.502 ' C ' ' O ' ' A' ' 69' ' ' LEU . 12.2 p80 -46.27 -31.91 2.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -69.18 -155.3 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.335 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.73 54.8 0.53 Allowed Glycine 0 C--N 1.293 -1.807 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.599 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 33.9 m-20 -135.89 130.56 34.0 Favored 'General case' 0 C--N 1.289 -2.052 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.325 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.978 HG23 HG22 ' A' ' 68' ' ' VAL . 1.3 m -107.15 158.65 16.92 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.444 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -128.87 109.55 11.36 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 179.135 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -108.94 130.44 55.45 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.971 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -136.58 147.51 47.03 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.423 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.821 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.9 t60 -148.91 164.79 33.47 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.89 1.329 . . . . 0.0 111.285 -177.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 12' ' ' VAL . 65.5 m-85 . . . . . 0 C--N 1.281 -2.405 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.216 -0.696 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 85' ' ' ALA . 15.9 m -153.53 -119.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 O-C-N 121.704 -0.623 . . . . 0.0 110.736 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -37.76 -65.54 0.32 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.48 -0.762 . . . . 0.0 111.477 -179.196 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG3' ' NE ' ' A' ' 89' ' ' ARG . 0.5 OUTLIER -36.97 -72.68 0.06 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.752 0.787 . . . . 0.0 109.42 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 1.006 ' HB2' HG21 ' A' ' 63' ' ' ILE . 5.0 mmt180 -51.79 -38.05 54.0 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -58.88 -17.93 28.5 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -88.86 -39.59 13.72 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.024 ' CG2' HG11 ' A' ' 12' ' ' VAL . 37.8 t -55.39 -67.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.622 ' O ' ' OE1' ' A' ' 97' ' ' GLN . 2.2 tttt -51.37 -38.75 54.92 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 3.4 t70 -52.21 -28.09 17.18 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.512 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.75 HD12 HD21 ' A' ' 9' ' ' LEU . 3.5 mm? -92.56 -48.13 6.77 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.992 -1.068 . . . . 0.0 109.359 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.773 ' HA ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -44.13 -68.42 0.2 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.494 -0.754 . . . . 0.0 112.482 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.622 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -58.36 -2.99 0.23 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.13 -0.981 . . . . 0.0 111.215 -178.637 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HB2' HE22 ' A' ' 97' ' ' GLN . 0.0 OUTLIER -98.44 -30.87 12.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.938 -1.101 . . . . 0.0 108.864 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -88.58 -35.23 17.01 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 67' ' ' LEU . 18.8 mt -51.51 -34.35 13.61 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.64 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -71.81 -1.7 10.31 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.309 1.689 . . . . 0.0 110.744 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 80.2 tttt -91.73 -37.11 13.2 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.279 -0.888 . . . . 0.0 110.819 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.676 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.636 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 26' ' ' LEU . 2.5 p . . . . . 0 C--O 1.215 -0.719 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.915 HD21 ' CD1' ' A' ' 95' ' ' LEU . 13.6 tp -99.24 -48.53 4.79 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.589 -0.844 . . . . 0.0 113.116 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 10' ' ' LEU . 12.7 tp -158.04 167.6 29.43 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 119.377 -2.077 . . . . 0.0 111.342 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -139.09 137.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -124.29 96.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 122.266 1.031 . . . . 0.0 109.966 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.703 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.95 -18.66 3.67 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.979 0.895 . . . . 0.0 111.113 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.6 tptp -115.18 118.61 33.82 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.638 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.072 HG21 ' HB2' ' A' ' 24' ' ' LEU . 11.5 t -150.37 146.43 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 C-N-CA 117.878 -1.529 . . . . 0.0 108.858 174.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.58 127.49 50.96 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.877 -177.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.742 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 10.1 pt20 -132.8 132.5 42.26 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.26 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.987 -0.446 . . . . 0.0 110.976 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.641 ' HD3' ' NE2' ' A' ' 17' ' ' GLN . 15.5 ptmt -80.12 -54.82 5.41 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.594 -1.316 . . . . 0.0 110.088 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.66 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 16.7 mm-40 -151.37 168.49 24.65 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.744 0.783 . . . . 0.0 110.927 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -106.12 130.54 54.0 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 101.019 -3.697 . . . . 0.0 101.019 176.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.618 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.85 166.05 36.02 Favored Glycine 0 C--N 1.292 -1.909 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 132.56 34.35 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.994 1.378 . . . . 0.0 110.183 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.072 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.27 132.87 53.24 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.178 -176.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD12 ' A' ' 11' ' ' ILE . 9.5 m-85 -109.85 139.19 45.21 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.989 HD12 HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -113.0 133.54 54.91 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 119.807 -1.808 . . . . 0.0 107.58 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.562 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 6.0 ttt -126.03 140.42 52.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -39.89 -58.26 1.42 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.775 0.798 . . . . 0.0 109.057 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tp10 -86.93 -10.03 54.26 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -175.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.64 163.75 36.63 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 119.216 -2.177 . . . . 0.0 112.686 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.989 HD11 HD12 ' A' ' 26' ' ' LEU . 2.0 mm -110.79 136.06 47.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -123.21 147.26 47.07 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 120.971 -1.081 . . . . 0.0 110.728 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.82 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 17.4 t90 -124.98 140.66 52.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.37 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.09 120.98 3.62 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.927 -0.483 . . . . 0.0 109.99 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 3.2 Cg_endo . . . . . 0 C--N 1.311 -1.396 0 O-C-N 123.728 1.383 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.692 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.782 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.82 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.25 159.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.112 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 9.5 t -168.07 101.87 0.45 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.287 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.637 ' NE2' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.9 121.89 46.28 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.004 -1.06 . . . . 0.0 109.659 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 50' ' ' ILE . 5.6 mtt -69.91 108.73 4.13 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.011 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.858 ' HA ' HD12 ' A' ' 50' ' ' ILE . 2.1 m-30 -39.48 -46.08 1.64 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.728 -0.608 . . . . 0.0 110.368 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.16 79.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 119.43 -2.043 . . . . 0.0 107.809 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.681 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 5.8 m-20 -48.09 -33.89 8.87 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.067 HG13 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -113.0 160.19 12.65 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.32 -177.496 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -150.19 103.66 3.19 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 119.246 -2.159 . . . . 0.0 113.382 -179.545 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.704 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.12 137.13 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.356 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.9 ' CB ' HD12 ' A' ' 100' ' ' LEU . 3.3 mm-40 -143.61 128.24 18.12 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 117.745 -1.582 . . . . 0.0 111.273 -177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.647 0 CA-C-N 114.404 -1.271 . . . . 0.0 107.655 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 1.076 ' O ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.201 -1.497 0 CA-C-O 117.428 -1.272 . . . . 0.0 112.648 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.076 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 103.08 61.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 CA-C-N 120.444 1.474 . . . . 0.0 112.89 177.43 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -108.59 132.46 53.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 119.638 -1.914 . . . . 0.0 111.918 -177.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.859 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -118.19 161.0 20.6 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.887 -1.133 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.63 ' HG3' ' ND2' ' A' ' 76' ' ' ASN . 1.5 tt0 -150.21 132.85 15.82 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-O 121.662 0.744 . . . . 0.0 110.354 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.067 HD21 HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.89 155.35 45.52 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -178.535 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.05 157.7 43.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 123.1 1.428 . . . . 0.0 110.89 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.86 145.55 25.07 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 113.65 -1.614 . . . . 0.0 109.418 -176.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 8.3 p80 -48.92 -27.84 3.39 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.74 -154.3 0.08 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.5 53.16 0.6 Allowed Glycine 0 C--N 1.296 -1.651 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.642 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 4.9 m-20 -129.05 131.26 47.32 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.003 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.69 165.07 11.7 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.029 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.709 ' OG1' HD23 ' A' ' 67' ' ' LEU . 1.9 m -132.32 106.63 8.03 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.63 ' ND2' ' HG3' ' A' ' 66' ' ' GLN . 6.0 m120 -111.59 136.98 50.05 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.795 -1.191 . . . . 0.0 107.847 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.974 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -148.97 147.54 28.72 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 117.695 -1.602 . . . . 0.0 111.312 -179.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.3 t-80 -137.44 163.3 31.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.266 1.031 . . . . 0.0 109.805 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CD2' HG22 ' A' ' 15' ' ' VAL . 6.9 m-85 . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.506 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 121.524 0.678 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.9 t -152.68 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 121.54 0.686 . . . . 0.0 111.58 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.3 mttt -52.12 -42.98 63.75 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 121.469 -0.769 . . . . 0.0 111.775 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -38.38 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.638 1.208 . . . . 0.0 110.238 -179.477 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.639 ' HB2' HG13 ' A' ' 63' ' ' ILE . 10.3 mmt180 -56.54 -42.55 78.69 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -58.34 -11.58 2.92 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.969 178.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.637 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.02 -37.61 11.04 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.992 -1.067 . . . . 0.0 108.64 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -65.18 -40.89 90.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 177.199 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -67.23 -40.48 86.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.453 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.527 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 50.5 t0 -55.57 -22.07 20.23 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.915 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.6 mm? -91.22 -44.95 8.91 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -36.96 -68.94 0.13 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.764 0.792 . . . . 0.0 111.115 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 1.1 pm0 -57.25 -0.81 0.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.695 -0.628 . . . . 0.0 111.636 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.22 -28.89 12.4 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.229 -0.919 . . . . 0.0 108.871 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -87.17 -35.76 18.41 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.34 -0.85 . . . . 0.0 109.116 179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.9 HD12 ' CB ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -43.13 -40.43 5.43 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.553 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 42.8 Cg_exo -60.38 -38.06 77.27 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 O-C-N 124.505 1.792 . . . . 0.0 110.454 178.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.1 tttt -48.9 -49.08 41.61 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.419 0.628 . . . . 0.0 111.197 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.298 -1.652 0 O-C-N 121.461 -0.774 . . . . 0.0 109.84 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.118 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.7 m . . . . . 0 C--O 1.215 -0.718 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.54 HD21 HD12 ' A' ' 95' ' ' LEU . 15.0 tp -99.19 -54.21 3.03 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.632 -0.827 . . . . 0.0 112.563 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 163.54 37.89 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 119.517 -1.989 . . . . 0.0 112.173 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.02 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.35 143.07 30.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 121.63 0.728 . . . . 0.0 110.384 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.816 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -123.46 128.66 74.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.703 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.46 -81.63 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.838 0 O-C-N 120.953 -1.092 . . . . 0.0 113.551 -175.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -109.22 104.1 13.19 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 118.884 -2.385 . . . . 0.0 115.086 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 24' ' ' LEU . 93.0 t -106.12 166.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -119.6 137.67 53.71 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.669 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 10.1 pt20 -141.68 148.28 38.84 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.82 -19.97 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.325 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 6.0 ptmm? -101.77 -53.9 2.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.106 -1.621 . . . . 0.0 111.379 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.37 168.89 23.39 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.942 0.877 . . . . 0.0 111.213 -173.365 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.58 134.29 48.94 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 177.197 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 166.12 35.57 Favored Glycine 0 C--N 1.29 -2.021 0 N-CA-C 106.946 -2.462 . . . . 0.0 106.946 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.73 146.56 28.95 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.947 -1.913 . . . . 0.0 108.54 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.059 HD11 ' CG ' ' A' ' 77' ' ' PHE . 1.2 mt -108.71 123.64 49.31 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.684 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 1.02 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 3.5 m-85 -109.89 137.11 48.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 15.7 tp -118.68 136.01 54.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 119.56 -1.962 . . . . 0.0 107.382 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 1.118 ' CE ' HG12 ' A' ' 8' ' ' VAL . 2.5 ttm -119.35 155.62 31.57 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.52 -55.62 1.08 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.656 -0.652 . . . . 0.0 111.207 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -108.21 9.71 28.03 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 120.172 -1.58 . . . . 0.0 112.463 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -155.65 165.6 36.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 119.275 -2.14 . . . . 0.0 112.754 -179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.819 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -115.98 125.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -109.78 152.63 25.45 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.294 -0.879 . . . . 0.0 109.953 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.97 ' O ' HG22 ' A' ' 42' ' ' THR . 28.4 t90 -136.48 141.1 43.47 Favored 'General case' 0 C--O 1.199 -1.598 0 O-C-N 121.421 -0.799 . . . . 0.0 109.704 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.99 123.87 4.17 Favored Pre-proline 0 C--N 1.296 -1.719 0 C-N-CA 119.408 -0.917 . . . . 0.0 112.02 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.595 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.7 Cg_endo . . . . . 0 C--N 1.307 -1.653 0 O-C-N 123.897 1.472 . . . . 0.0 108.57 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 1.017 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.8 t . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.017 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -146.65 168.26 6.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 O-C-N 121.043 -1.036 . . . . 0.0 109.593 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 43' ' ' ILE . 3.3 p -157.47 119.53 3.78 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.9 ' CE1' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -114.59 123.36 49.15 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.98 -1.075 . . . . 0.0 110.158 -179.416 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -67.16 109.16 2.94 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.388 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.639 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 1.9 m-30 -40.74 -42.87 1.86 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.538 -0.727 . . . . 0.0 109.951 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 50' ' ' ILE . . . -67.26 -46.22 74.35 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.334 -1.479 . . . . 0.0 108.047 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.8 m-20 -45.26 -29.8 1.08 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.986 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.8 pp -112.93 160.94 12.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.347 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -147.29 102.84 3.52 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 116.868 -1.933 . . . . 0.0 110.72 176.363 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.77 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.5 127.92 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.644 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.927 ' HG3' HD12 ' A' ' 67' ' ' LEU . 28.3 mp0 -143.51 127.19 17.07 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 117.813 -1.555 . . . . 0.0 111.246 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tttm . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 1.139 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.193 -1.886 0 CA-C-O 116.725 -1.607 . . . . 0.0 111.857 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.139 HG22 ' O ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER 113.14 81.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.8 1.636 . . . . 0.0 112.198 177.733 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -132.15 140.22 48.68 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 178.043 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.958 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -129.34 162.45 27.95 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.741 -1.224 . . . . 0.0 109.717 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.518 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -142.83 120.26 11.67 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.762 0.791 . . . . 0.0 110.904 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.986 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -127.69 152.08 48.16 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.326 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.122 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.31 157.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 C-N-CA 117.22 -1.792 . . . . 0.0 112.252 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -91.38 145.08 24.93 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.484 -176.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 41.1 m80 -45.35 -32.41 2.04 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -74.93 -153.87 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.431 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.96 50.56 0.76 Allowed Glycine 0 C--N 1.299 -1.476 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.614 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 44.0 m-20 -128.64 127.78 42.87 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.488 -0.931 . . . . 0.0 108.488 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.122 HG23 HG22 ' A' ' 68' ' ' VAL . 10.5 m -108.68 160.26 16.08 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -118.5 115.46 24.66 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.518 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 76.1 m-20 -115.26 122.14 45.04 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.059 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.62 144.56 51.33 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.689 -1.604 . . . . 0.0 109.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.773 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 50.3 t-80 -148.85 142.96 25.96 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.575 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.816 ' HE2' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.282 -2.355 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.634 ' HB1' ' C ' ' A' ' 79' ' ' PHE . . . . . . . . 0 C--O 1.216 -0.708 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' OE2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -149.43 -112.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.068 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.704 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.3 tttt -54.1 -65.12 0.63 Allowed 'General case' 0 C--O 1.205 -1.245 0 O-C-N 120.615 -1.303 . . . . 0.0 111.297 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.9 ' OE2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -35.56 -67.1 0.17 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.991 -1.068 . . . . 0.0 110.655 -178.69 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.633 HH11 HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -58.97 -29.82 67.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.46 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.2 t0 -61.73 -16.33 48.35 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 94' ' ' ASP . . . -87.71 -30.25 20.49 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 12' ' ' VAL . 42.4 t -59.07 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.609 ' O ' ' OE1' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -46.52 -36.96 7.28 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 33.6 t0 -52.97 -30.59 35.82 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 9' ' ' LEU . 3.2 mm? -92.82 -42.87 9.3 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.313 -0.867 . . . . 0.0 109.104 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -43.1 -68.09 0.22 Allowed 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.614 -0.679 . . . . 0.0 112.022 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.609 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -61.51 -0.99 0.47 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.616 -1.303 . . . . 0.0 110.85 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.442 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -90.94 -39.75 12.09 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.047 -1.033 . . . . 0.0 108.504 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -82.5 -26.6 32.41 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.248 -0.908 . . . . 0.0 108.952 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 53' ' ' GLN . 20.7 mt -56.48 -37.17 54.57 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 38.1 Cg_exo -69.97 -4.18 13.65 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.203 1.633 . . . . 0.0 110.623 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -85.93 -29.73 23.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 110.389 -179.104 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.639 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.487 0 O-C-N 121.229 -0.92 . . . . 0.0 109.802 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.591 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.6 m . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 121.836 0.826 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.6 tp -98.72 -50.14 4.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.067 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.738 ' CD2' HG22 ' A' ' 92' ' ' VAL . 5.0 tt -159.1 148.17 18.49 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.46 -2.025 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.081 HD13 ' CG ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.23 150.37 21.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-O 122.823 1.297 . . . . 0.0 111.117 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.782 HG21 ' HE1' ' A' ' 79' ' ' PHE . 35.8 m -134.84 113.52 16.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -59.23 -18.19 34.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.866 179.306 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.1 tptt -117.7 122.01 42.37 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.988 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.023 HG21 ' HB2' ' A' ' 24' ' ' LEU . 22.7 t -151.49 151.88 11.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -123.42 130.75 53.16 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-O 121.73 0.776 . . . . 0.0 109.575 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.612 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 16.3 pt20 -137.06 131.0 32.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.68 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.682 -0.636 . . . . 0.0 111.402 -174.168 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.648 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -74.96 -57.45 3.89 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.614 -1.304 . . . . 0.0 110.15 178.259 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.648 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 7.9 tt0 -152.14 168.59 24.83 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.71 -0.619 . . . . 0.0 109.8 -173.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -105.77 128.48 53.73 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 176.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.606 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.52 165.65 35.65 Favored Glycine 0 C--N 1.294 -1.779 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.604 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.31 136.24 33.99 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 123.147 1.451 . . . . 0.0 111.7 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.041 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.68 131.78 54.03 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.02 -176.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 1.081 ' CG ' HD13 ' A' ' 11' ' ' ILE . 30.9 m-85 -111.47 131.5 55.17 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.385 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 99' ' ' LEU . 2.6 tt -109.99 128.53 55.45 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.591 ' CE ' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -118.1 153.15 34.25 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.16 -55.68 0.96 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.982 -0.449 . . . . 0.0 110.985 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.2 tt0 -105.92 5.15 30.3 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.357 -1.464 . . . . 0.0 112.406 -177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.567 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -158.83 165.57 33.92 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 119.12 -2.237 . . . . 0.0 113.423 -179.239 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 26' ' ' LEU . 1.2 mm -108.87 136.67 43.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -125.18 150.24 47.15 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.958 -1.089 . . . . 0.0 111.118 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.88 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 21.9 t90 -123.61 143.92 49.92 Favored 'General case' 0 C--O 1.193 -1.872 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.29 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.56 165.24 17.86 Favored Pre-proline 0 C--N 1.295 -1.768 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.652 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.394 0 O-C-N 123.81 1.427 . . . . 0.0 108.84 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.162 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -154.55 154.3 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 121.551 -0.718 . . . . 0.0 109.821 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 p -162.66 101.95 1.04 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.039 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.725 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.81 115.45 29.85 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.122 -0.986 . . . . 0.0 109.363 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.567 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.41 115.26 4.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.492 -0.755 . . . . 0.0 109.496 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.91 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.4 m-30 -39.86 -43.69 1.51 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.808 -0.558 . . . . 0.0 109.871 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.5 86.14 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 120.107 -1.62 . . . . 0.0 107.68 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.1 m-20 -62.12 -5.47 2.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.652 177.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.034 HG21 HD21 ' A' ' 67' ' ' LEU . 1.3 mt -131.69 140.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -147.22 103.04 3.55 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 116.373 -2.131 . . . . 0.0 111.145 175.768 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.862 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER 172.68 121.74 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 176.634 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 1.091 ' CB ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -143.5 120.8 11.57 Favored 'General case' 0 C--N 1.279 -2.492 0 C-N-CA 116.978 -1.889 . . . . 0.0 111.805 -177.352 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.885 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.194 -1.831 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.924 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 1.0 OUTLIER 81.94 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 120.962 1.71 . . . . 0.0 114.204 -179.602 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.78 141.66 49.54 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.411 -1.268 . . . . 0.0 107.897 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.871 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.27 166.82 20.36 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.543 -1.348 . . . . 0.0 111.178 -179.575 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -142.08 134.88 28.53 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.826 0.822 . . . . 0.0 110.726 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.034 HD21 HG21 ' A' ' 50' ' ' ILE . 1.1 tp -141.6 137.97 32.28 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -119.25 159.05 20.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-O 122.855 1.312 . . . . 0.0 110.548 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.904 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -93.02 144.55 25.14 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.94 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 4.5 p80 -45.65 -31.24 1.83 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -72.18 -149.35 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.04 51.13 0.73 Allowed Glycine 0 C--N 1.297 -1.633 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.56 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.47 135.31 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.634 -178.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.03 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.26 154.46 21.75 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.774 -0.771 . . . . 0.0 109.082 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 m -123.82 112.0 16.78 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -109.42 135.69 50.04 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.695 -1.253 . . . . 0.0 108.636 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.041 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -140.56 151.33 44.63 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.412 -1.315 . . . . 0.0 110.613 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.705 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.2 t-80 -143.97 151.69 40.09 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.278 1.037 . . . . 0.0 110.096 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.917 ' HB2' HG23 ' A' ' 63' ' ' ILE . 62.9 m-85 . . . . . 0 C--N 1.283 -2.304 0 CA-C-O 122.186 0.993 . . . . 0.0 111.115 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 121.17 0.51 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.86 -141.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 121.042 -1.036 . . . . 0.0 111.624 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -51.86 -16.55 0.73 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.474 0.654 . . . . 0.0 110.356 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.21 -73.67 0.06 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.462 1.125 . . . . 0.0 108.39 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.723 ' HG3' ' HB3' ' A' ' 79' ' ' PHE . 1.4 mmp_? -70.09 -34.05 72.67 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.924 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.3 t0 -42.24 -49.15 5.0 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -57.41 -54.77 43.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 176.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 10' ' ' LEU . 38.5 t -40.3 -54.48 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.598 ' HG2' ' N ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -49.74 -51.05 41.74 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.598 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 5.6 t0 -39.92 -62.86 0.66 Allowed 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.1 mt -41.55 -56.45 2.56 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.1 mt -38.14 -68.1 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.444 0.64 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.499 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -68.73 -1.34 6.8 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 118.989 -1.084 . . . . 0.0 110.372 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.13 -36.03 15.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -88.1 -25.08 23.2 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 121.126 -0.984 . . . . 0.0 108.449 178.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -43.04 -36.12 1.54 Allowed Pre-proline 0 C--N 1.302 -1.498 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -177.013 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.0 Cg_exo -75.05 4.36 4.84 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 O-C-N 124.575 1.829 . . . . 0.0 111.809 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 99' ' ' LEU . 4.8 tttt -98.75 -42.98 6.96 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 112.24 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.49 0 O-C-N 120.785 -1.197 . . . . 0.0 110.08 -175.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.765 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.743 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.093 ' CD2' HD13 ' A' ' 95' ' ' LEU . 20.9 tp -98.67 -31.01 12.14 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.482 -0.887 . . . . 0.0 113.0 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.886 HD21 HG13 ' A' ' 12' ' ' VAL . 6.2 tt -177.4 150.39 0.7 Allowed 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.133 -2.229 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.03 137.11 56.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.886 HG13 HD21 ' A' ' 10' ' ' LEU . 1.3 m -127.27 123.4 61.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.978 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.61 -82.0 0.03 OUTLIER 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 117.971 -1.492 . . . . 0.0 108.993 -178.651 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 13' ' ' LYS . 1.4 mptt -48.6 117.59 2.1 Favored 'General case' 0 C--N 1.274 -2.698 0 O-C-N 120.035 -1.666 . . . . 0.0 112.03 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.107 HG21 ' HB2' ' A' ' 24' ' ' LEU . 55.9 t -146.11 144.7 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-O 122.174 0.988 . . . . 0.0 108.55 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.78 135.99 54.93 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.613 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.4 pt20 -143.51 133.89 24.68 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.14 -25.15 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.727 -173.679 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -76.19 -58.9 3.01 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.696 -1.252 . . . . 0.0 109.521 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.619 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.74 169.23 22.71 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.743 0.782 . . . . 0.0 110.925 -174.651 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 m-20 -105.67 132.62 51.59 Favored 'General case' 0 C--N 1.293 -1.878 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.704 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.89 166.4 36.19 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -174.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.978 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.74 133.51 34.36 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.922 1.344 . . . . 0.0 110.482 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.54 133.87 52.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.832 -175.387 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 16.1 m-85 -112.26 139.03 48.15 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 95' ' ' LEU . 8.5 tt -118.42 136.91 53.5 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 119.779 -1.826 . . . . 0.0 108.399 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.765 ' SD ' HG12 ' A' ' 8' ' ' VAL . 3.4 ttp -134.32 139.67 45.84 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.56 -55.91 1.07 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.625 -0.672 . . . . 0.0 110.465 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -85.21 -16.13 41.3 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.33 -175.284 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.01 163.35 37.84 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.607 -1.933 . . . . 0.0 112.33 179.549 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.65 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.0 129.26 68.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -110.06 160.06 16.77 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.233 -0.917 . . . . 0.0 111.017 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.794 ' CE3' HG21 ' A' ' 42' ' ' THR . 21.2 t90 -139.58 144.93 38.0 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.999 0.904 . . . . 0.0 110.403 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.14 119.06 3.39 Favored Pre-proline 0 C--N 1.293 -1.869 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.471 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 5.3 Cg_endo . . . . . 0 C--N 1.309 -1.525 0 O-C-N 123.934 1.491 . . . . 0.0 109.215 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.794 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.214 -0.766 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.72 HD12 ' NE2' ' A' ' 45' ' ' HIS . 3.5 pt -151.56 173.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.669 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.9 m -166.82 109.28 0.7 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.762 ' CB ' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.53 128.92 55.54 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.868 -1.145 . . . . 0.0 110.539 -178.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.1 mpp? -73.13 108.86 6.25 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.695 ' CE2' HD13 ' A' ' 99' ' ' LEU . 11.8 m-85 -30.81 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.665 -0.647 . . . . 0.0 112.29 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -65.88 -45.52 81.75 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 120.154 -1.591 . . . . 0.0 108.282 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.563 ' C ' HD13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -66.08 -5.99 11.61 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -123.5 105.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -130.52 103.33 6.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 115.9 -2.32 . . . . 0.0 113.526 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.41 140.36 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 176.027 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.529 ' NE2' ' HG ' ' A' ' 100' ' ' LEU . 2.5 mt-30 -142.42 120.81 12.38 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 117.031 -1.868 . . . . 0.0 111.173 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-N 113.314 -1.766 . . . . 0.0 108.291 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.672 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -151.58 84.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-O 122.836 1.303 . . . . 0.0 114.378 -177.183 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -109.09 124.58 51.0 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 119.727 -1.858 . . . . 0.0 108.067 178.018 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.788 ' HG ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.33 166.2 11.71 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.154 -0.966 . . . . 0.0 110.701 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -143.43 134.96 26.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 121.145 -0.972 . . . . 0.0 111.012 -179.401 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 ' CG2' ' A' ' 50' ' ' ILE . 1.1 tt -136.88 134.79 37.23 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.2 t -109.84 157.11 10.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 C-N-CA 117.583 -1.647 . . . . 0.0 110.834 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.2 mm? -84.4 147.68 27.0 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.006 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 31.6 m-70 -47.35 -38.43 12.96 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.24 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.376 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.36 52.34 0.65 Allowed Glycine 0 C--N 1.3 -1.449 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 9.0 t0 -128.8 142.22 51.05 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.527 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.733 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.41 158.79 17.2 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.01 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 18.6 m -132.58 104.24 6.57 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -109.77 145.75 36.13 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.842 -1.161 . . . . 0.0 109.078 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.078 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.61 142.64 23.99 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.412 1.101 . . . . 0.0 110.36 179.456 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.672 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 52.2 t-80 -144.61 166.74 24.33 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.735 -175.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.057 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.708 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.587 ' N ' ' NH2' ' A' ' 89' ' ' ARG . 2.3 t -129.37 -66.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 123.187 2.721 . . . . 0.0 112.033 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.623 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -59.65 -64.41 0.95 Allowed 'General case' 0 CA--C 1.556 1.19 0 O-C-N 120.799 -1.188 . . . . 0.0 113.693 -178.492 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 1.9 mt-10 -35.6 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.237 -0.914 . . . . 0.0 111.211 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.756 ' CD ' HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.85 -21.37 64.28 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 117.841 -1.543 . . . . 0.0 108.433 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -45.07 -55.67 5.41 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -58.89 -54.01 51.92 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 10' ' ' LEU . 54.0 t -39.5 -63.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.593 0.711 . . . . 0.0 109.901 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.664 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 3.9 tttm -58.7 -47.93 82.87 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 26.0 t0 -46.26 -19.7 0.08 Allowed 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.093 HD13 ' CD2' ' A' ' 9' ' ' LEU . 1.3 mt -89.33 -44.27 10.34 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.788 HD11 ' HG ' ' A' ' 65' ' ' LEU . 1.1 mt -37.3 -65.36 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.831 0.824 . . . . 0.0 109.405 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.594 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER -70.2 -1.75 11.15 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.105 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -100.0 -28.61 12.99 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.427 -0.796 . . . . 0.0 109.589 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.695 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -87.25 -31.64 20.16 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.0 -1.063 . . . . 0.0 109.179 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.652 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -40.77 -40.12 2.04 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 41.5 Cg_exo -65.3 -37.89 29.21 Favored 'Trans proline' 0 C--N 1.299 -2.075 0 O-C-N 124.659 1.873 . . . . 0.0 111.214 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 99' ' ' LEU . 10.8 tttm -50.33 -51.7 43.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.619 0.723 . . . . 0.0 111.607 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.607 -0.683 . . . . 0.0 109.611 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.151 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 121.829 0.823 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.84 -47.89 5.12 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.003 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 95' ' ' LEU . 26.8 tp -158.38 143.07 16.15 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.675 -1.891 . . . . 0.0 110.136 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 136.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.351 -0.843 . . . . 0.0 110.019 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.854 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -119.26 100.16 9.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-O 122.198 0.999 . . . . 0.0 108.613 177.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.659 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.76 -18.9 9.41 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.02 0.914 . . . . 0.0 110.954 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.0 tptt -115.93 120.45 39.23 Favored 'General case' 0 C--N 1.28 -2.45 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.24 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' HB2' ' A' ' 24' ' ' LEU . 36.9 t -150.75 148.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.489 -1.285 . . . . 0.0 109.301 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 9.7 tpp180 -123.55 134.66 53.81 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.65 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 8.5 pt20 -141.58 134.82 29.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' GLN . 11.4 mttp -36.68 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.847 -0.533 . . . . 0.0 111.382 -174.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 ptpm? -80.98 -55.9 4.48 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.514 -1.367 . . . . 0.0 110.472 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.645 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.49 168.67 24.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 110.228 -175.164 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -106.1 129.98 54.09 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 101.027 -3.694 . . . . 0.0 101.027 175.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.6 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.75 165.9 35.9 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.596 -176.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.59 134.64 34.39 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 123.2 1.476 . . . . 0.0 111.143 -176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.109 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.6 mt -107.93 134.32 51.02 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.7 -175.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.774 ' CE1' HD12 ' A' ' 11' ' ' ILE . 7.5 m-85 -116.85 135.18 53.94 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 27' ' ' MET . 1.7 tt -109.77 130.08 55.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.175 -1.578 . . . . 0.0 106.974 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 1.151 ' CE ' HG12 ' A' ' 8' ' ' VAL . 6.0 ttm -116.04 153.8 31.05 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.6 -55.45 1.12 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.824 -0.548 . . . . 0.0 111.165 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.7 tt0 -105.94 7.98 32.34 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.357 -1.464 . . . . 0.0 112.769 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' C ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -159.56 165.31 33.14 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 119.241 -2.162 . . . . 0.0 113.164 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.771 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -109.87 123.4 65.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.479 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -110.8 158.81 18.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.165 0.983 . . . . 0.0 111.498 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.899 ' CE3' HG21 ' A' ' 42' ' ' THR . 16.9 t90 -134.42 140.53 46.34 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.253 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.76 159.52 32.3 Favored Pre-proline 0 C--N 1.297 -1.679 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.335 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.316 -1.164 0 O-C-N 123.97 1.51 . . . . 0.0 109.119 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 1.018 HG23 HG23 ' A' ' 43' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.441 -0.899 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.018 HG23 HG23 ' A' ' 42' ' ' THR . 2.2 pp -150.72 172.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.118 0.961 . . . . 0.0 111.852 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -168.48 113.34 0.62 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.873 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.1 117.16 33.44 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.874 -1.141 . . . . 0.0 109.046 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.9 115.14 5.05 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.617 -0.677 . . . . 0.0 110.136 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.1 m-30 -39.04 -45.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.996 -0.44 . . . . 0.0 110.178 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.13 -37.13 78.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 119.96 -1.713 . . . . 0.0 108.391 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.5 m-20 -66.71 -4.69 9.54 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.571 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.873 HD13 ' HB2' ' A' ' 45' ' ' HIS . 6.0 pt -137.87 139.05 43.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.433 -0.792 . . . . 0.0 109.121 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -144.0 103.64 4.05 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 119.201 -2.187 . . . . 0.0 112.101 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.882 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.01 128.07 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.444 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.636 ' HG2' HD12 ' A' ' 67' ' ' LEU . 1.4 mt-30 -143.57 120.98 11.65 Favored 'General case' 0 C--N 1.285 -2.227 0 C-N-CA 117.646 -1.622 . . . . 0.0 111.314 -177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tttp . . . . . 0 C--N 1.302 -1.464 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HG3' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 121.59 0.709 . . . . 0.0 109.821 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -162.78 82.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 C-N-CA 118.467 -1.293 . . . . 0.0 113.997 -176.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.54 133.74 55.56 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.841 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.29 166.67 13.7 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.605 -1.31 . . . . 0.0 111.062 -178.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.94 129.35 21.25 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.724 0.773 . . . . 0.0 110.545 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 50' ' ' ILE . 1.9 tt -133.28 149.72 51.93 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.984 HG22 HG23 ' A' ' 74' ' ' THR . 1.9 t -125.64 158.74 34.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-O 123.294 1.521 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -93.51 144.16 25.62 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.051 -177.179 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.6 p80 -45.22 -30.84 1.29 Allowed 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.07 -148.93 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.6 53.08 0.62 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.598 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 7.3 m-20 -128.99 129.78 45.83 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 119.749 -0.78 . . . . 0.0 108.976 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.984 HG23 HG22 ' A' ' 68' ' ' VAL . 2.0 m -108.05 158.37 17.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -125.5 115.8 20.8 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.393 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.07 130.59 55.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.109 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -143.42 152.66 41.82 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.224 -1.39 . . . . 0.0 111.027 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.834 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.3 t-80 -150.32 162.97 39.48 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.961 1.363 . . . . 0.0 112.343 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 27.3 m-85 . . . . . 0 C--N 1.291 -1.937 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 87' ' ' LYS . 77.8 t -144.23 -101.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 O-C-N 118.81 -2.431 . . . . 0.0 111.116 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -34.85 -65.56 0.21 Allowed 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.995 -178.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -36.9 -62.17 0.5 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.014 0.912 . . . . 0.0 110.485 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.759 ' HB2' HG21 ' A' ' 63' ' ' ILE . 9.9 mmt180 -60.96 -47.33 86.91 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 4.8 m-20 -52.34 -16.59 0.89 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.688 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -96.5 -30.93 13.05 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 4.0 t -66.49 -55.54 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.804 ' CG ' HE22 ' A' ' 97' ' ' GLN . 9.8 ttpt -53.21 -51.2 62.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' LYS . 32.3 m-20 -38.55 -69.49 0.12 Allowed 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -41.68 -51.41 4.09 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 121.486 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.621 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -39.71 -65.9 0.35 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.696 0.76 . . . . 0.0 110.182 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.804 HE22 ' CG ' ' A' ' 93' ' ' LYS . 9.9 mp0 -67.52 -2.53 6.68 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.379 -0.826 . . . . 0.0 110.055 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.01 -35.17 11.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.175 -0.953 . . . . 0.0 109.577 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -90.07 -29.47 18.34 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 121.003 -1.061 . . . . 0.0 108.395 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.635 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -43.15 -41.64 7.21 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.076 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -62.1 -36.35 70.59 Favored 'Trans proline' 0 C--N 1.299 -2.031 0 O-C-N 124.601 1.843 . . . . 0.0 110.5 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -49.94 -43.31 49.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.711 -0.618 . . . . 0.0 111.464 -179.51 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.461 0 O-C-N 121.053 -1.029 . . . . 0.0 110.165 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.215 -0.712 0 CA-C-O 121.784 0.802 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 26' ' ' LEU . 31.1 tp -98.68 -48.08 5.09 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.338 -176.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -159.33 142.22 14.18 Favored 'General case' 0 C--N 1.311 -1.077 0 O-C-N 119.5 -2.0 . . . . 0.0 110.828 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.761 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.84 133.35 65.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 O-C-N 121.486 -0.759 . . . . 0.0 110.117 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.903 HG11 HG21 ' A' ' 92' ' ' VAL . 5.9 m -115.69 96.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.83 -19.25 16.35 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.943 0.877 . . . . 0.0 110.547 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.16 117.95 30.98 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.499 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.88 148.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.749 174.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HB3' ' HD1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.31 141.99 50.39 Favored 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.735 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 12.3 pt20 -146.11 132.14 19.27 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.71 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.818 -0.551 . . . . 0.0 111.395 -174.04 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.642 ' HD3' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.89 -55.56 4.88 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.464 -1.398 . . . . 0.0 110.291 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.665 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 38.5 tt0 -151.85 168.48 24.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.655 -0.653 . . . . 0.0 110.033 -174.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 3.0 m-20 -106.1 129.43 54.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 101.701 -3.444 . . . . 0.0 101.701 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.02 165.96 36.09 Favored Glycine 0 C--N 1.299 -1.505 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.327 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.77 134.62 34.31 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 123.227 1.489 . . . . 0.0 111.084 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.052 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.74 135.64 48.83 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 113.264 -1.789 . . . . 0.0 110.17 -175.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 8.6 m-85 -117.08 133.55 55.86 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.919 HD23 ' N ' ' A' ' 27' ' ' MET . 4.9 tt -109.97 131.09 55.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.01 -1.681 . . . . 0.0 107.699 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.919 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.8 ttt -117.93 152.36 35.6 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.39 -55.98 1.01 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.825 -0.547 . . . . 0.0 111.504 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 tt0 -103.83 5.81 36.17 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 120.21 -1.556 . . . . 0.0 112.243 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -159.9 165.83 31.39 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.309 -2.12 . . . . 0.0 113.128 -179.232 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.762 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.4 mm -108.94 137.71 39.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.632 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -125.05 150.97 46.24 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.986 -1.071 . . . . 0.0 111.328 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.853 ' N ' HG22 ' A' ' 43' ' ' ILE . 17.1 t90 -124.78 143.25 50.9 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.468 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.54 125.95 4.54 Favored Pre-proline 0 C--N 1.295 -1.798 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.749 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 2.9 Cg_endo . . . . . 0 C--N 1.307 -1.633 0 O-C-N 123.847 1.446 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.175 0.512 . . . . 0.0 109.827 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.853 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -152.27 157.02 5.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.88 -179.4 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 49.8 p -164.0 102.16 0.88 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.8 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.72 115.67 30.29 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 121.102 -0.999 . . . . 0.0 109.105 179.301 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.557 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -65.47 116.89 7.23 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.447 -0.783 . . . . 0.0 110.277 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.92 ' HD1' HD11 ' A' ' 50' ' ' ILE . 4.1 m-30 -39.47 -46.25 1.66 Allowed 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.892 -0.505 . . . . 0.0 109.876 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.541 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.11 -37.3 78.3 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 120.09 -1.631 . . . . 0.0 108.461 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' MET . 23.6 m-20 -68.59 -5.01 17.46 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.508 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.92 HD11 ' HD1' ' A' ' 47' ' ' TYR . 8.0 pt -135.76 133.35 51.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.477 -0.764 . . . . 0.0 109.2 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -148.1 104.07 3.52 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 119.261 -2.15 . . . . 0.0 113.531 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.672 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 4.8 t 173.26 133.92 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 6.2 mt-30 -143.55 121.61 12.13 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.038 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.413 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.672 ' HD3' ' CD2' ' A' ' 78' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.16 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -163.94 84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 O-C-N 120.902 -1.124 . . . . 0.0 113.019 -177.431 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 11.3 pt20 -109.0 130.42 55.48 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.862 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.77 171.28 8.72 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 120.608 -1.308 . . . . 0.0 112.113 -177.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 1.1 tt0 -138.43 131.72 30.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.583 0.706 . . . . 0.0 110.262 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.58 HD22 HD12 ' A' ' 50' ' ' ILE . 6.3 tt -133.54 145.41 50.1 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.5 t -122.61 158.34 26.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.486 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.871 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -92.5 146.17 23.88 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.588 -176.728 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 52.9 m-70 -45.36 -32.01 1.89 Allowed 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.26 -151.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.229 -1.351 . . . . 0.0 107.805 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.14 52.92 0.61 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.615 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 m-20 -128.82 134.81 48.47 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.235 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.48 160.1 15.91 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.228 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.7 m -133.59 107.34 7.93 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 14.7 m-20 -108.83 138.14 45.63 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.924 -1.11 . . . . 0.0 108.244 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.052 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.27 150.82 36.52 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.984 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.672 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t-80 -144.15 156.03 44.17 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 122.631 1.205 . . . . 0.0 112.498 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.098 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.531 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.753 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.906 HG22 ' OE2' ' A' ' 88' ' ' GLU . 10.7 m -153.01 -138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.229 -1.544 . . . . 0.0 112.603 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.649 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -34.58 -41.19 0.12 Allowed 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.842 -0.536 . . . . 0.0 111.537 -178.621 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.906 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -48.06 -72.37 0.05 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.742 -1.224 . . . . 0.0 108.574 179.179 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.677 ' C ' HD13 ' A' ' 63' ' ' ILE . 11.6 mmt180 -62.98 -53.47 53.41 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' N ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -35.73 -50.07 0.62 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -60.83 -53.0 62.64 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.098 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 16.6 t -38.6 -61.07 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.606 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 26.7 ttpp -58.09 -51.52 69.38 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.518 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 7.9 t0 -43.33 -23.2 0.05 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.772 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.65 -44.35 10.67 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.105 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.651 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.0 mt -39.94 -62.03 0.78 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.271 0.557 . . . . 0.0 109.892 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -70.14 -2.01 11.77 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.628 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.28 -36.89 12.96 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.85 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -91.0 -29.25 17.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.654 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 tp -43.11 -45.88 13.42 Favored Pre-proline 0 C--N 1.305 -1.365 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.3 Cg_exo -55.37 -34.43 88.86 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 O-C-N 124.359 1.716 . . . . 0.0 110.682 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -54.22 -42.55 69.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.758 -0.589 . . . . 0.0 112.18 -178.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.715 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.413 0 O-C-N 120.809 -1.182 . . . . 0.0 110.311 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.657 HG12 ' HE2' ' A' ' 27' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 121.944 0.878 . . . . 0.0 109.9 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.004 HD21 ' HG ' ' A' ' 95' ' ' LEU . 8.4 tp -99.0 -50.27 4.23 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.495 -177.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.44 168.21 27.58 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 119.653 -1.905 . . . . 0.0 110.93 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -134.33 136.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.88 96.81 4.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 CA-C-O 122.275 1.036 . . . . 0.0 109.481 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.723 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.24 -18.93 18.37 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.459 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.3 tptm -114.71 115.3 26.85 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 119.849 -0.741 . . . . 0.0 110.233 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.007 HG21 ' HB2' ' A' ' 24' ' ' LEU . 19.2 t -150.26 146.86 16.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 118.223 -1.391 . . . . 0.0 109.548 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.598 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.75 131.16 53.92 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.741 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 12.4 pt20 -136.19 132.69 36.26 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.5 mttp -36.35 -24.1 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.917 -0.489 . . . . 0.0 111.244 -173.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.631 ' HD2' ' NE2' ' A' ' 17' ' ' GLN . 1.6 ptpt -79.67 -53.51 6.76 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.451 -1.406 . . . . 0.0 109.724 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.56 24.54 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.595 0.712 . . . . 0.0 110.738 -174.605 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 m-20 -106.18 130.33 54.08 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 100.507 -3.886 . . . . 0.0 100.507 175.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.626 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.23 36.2 Favored Glycine 0 C--N 1.296 -1.671 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 133.39 34.28 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 123.101 1.429 . . . . 0.0 110.634 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.007 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.1 mt -108.12 132.09 53.95 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.726 -175.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.6 m-85 -111.7 136.74 50.53 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 HD11 ' A' ' 31' ' ' ILE . 16.7 tp -122.78 139.68 53.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.784 -1.823 . . . . 0.0 108.666 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.736 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 4.2 ttm -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.68 -58.53 0.88 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.594 -0.691 . . . . 0.0 111.492 -177.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 9.7 tt0 -86.79 -7.01 58.64 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -173.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HD2' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -160.92 165.61 29.74 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 119.159 -2.213 . . . . 0.0 112.464 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 26' ' ' LEU . 1.2 mm -112.02 134.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.584 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -120.42 149.5 42.27 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.998 -1.064 . . . . 0.0 111.242 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.802 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 18.1 t90 -126.5 143.25 51.26 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.17 0.985 . . . . 0.0 111.147 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.81 108.13 2.88 Favored Pre-proline 0 C--N 1.294 -1.807 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.018 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD3' HG21 ' A' ' 42' ' ' THR . 1.5 Cg_endo . . . . . 0 C--N 1.305 -1.727 0 O-C-N 123.899 1.473 . . . . 0.0 109.613 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.723 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.821 0.343 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.802 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -150.81 160.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.537 -1.265 . . . . 0.0 112.338 -178.077 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 t -167.27 101.66 0.52 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.176 177.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.766 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -110.08 119.59 39.77 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.07 -1.019 . . . . 0.0 108.795 179.104 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -69.65 118.69 12.83 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.583 0.706 . . . . 0.0 110.402 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.79 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.7 m-30 -41.12 -45.34 2.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.072 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.06 -34.43 75.15 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 119.889 -1.757 . . . . 0.0 108.431 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' MET . 1.1 m-20 -67.95 -3.91 11.43 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.714 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.87 HG22 HD13 ' A' ' 69' ' ' LEU . 31.4 pt -138.13 134.78 44.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' VAL . 12.2 tptp -136.38 102.84 5.09 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 116.24 -2.184 . . . . 0.0 112.374 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.9 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.17 136.47 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.059 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.659 ' CG ' HD13 ' A' ' 100' ' ' LEU . 19.4 mp0 -143.23 121.02 11.91 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 117.032 -1.867 . . . . 0.0 111.518 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.501 0 CA-C-N 114.272 -1.331 . . . . 0.0 107.968 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 1.025 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.19 -2.043 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.254 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.025 HG23 ' O ' ' A' ' 62' ' ' LYS 0.293 0.0 OUTLIER 93.26 80.16 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-O 123.917 1.818 . . . . 0.0 113.441 177.936 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -119.39 137.05 54.0 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.935 -1.103 . . . . 0.0 109.274 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.852 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -132.18 163.44 28.54 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 120.701 -1.249 . . . . 0.0 110.574 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.2 mt-30 -147.15 138.85 24.2 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.885 0.85 . . . . 0.0 110.437 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -141.57 149.09 40.31 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.065 HG22 HG23 ' A' ' 74' ' ' THR . 2.1 t -124.67 157.32 32.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 117.949 -1.5 . . . . 0.0 110.107 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.91 144.1 26.22 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.8 -176.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.9 p80 -45.43 -31.99 1.94 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.24 -154.45 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.039 -1.437 . . . . 0.0 107.714 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.7 52.78 0.62 Allowed Glycine 0 C--N 1.296 -1.645 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.634 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 50.5 m-20 -129.71 133.28 46.96 Favored 'General case' 0 C--N 1.286 -2.178 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.605 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.065 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.07 162.89 13.45 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 43.0 m -137.98 104.38 5.23 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.8 m-20 -109.28 145.33 36.13 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.96 -1.087 . . . . 0.0 108.174 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.19 147.7 28.74 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.153 -1.419 . . . . 0.0 111.221 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.673 ' O ' HG13 ' A' ' 15' ' ' VAL . 63.4 t-80 -138.45 163.22 32.49 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 122.137 0.97 . . . . 0.0 110.315 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.962 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.493 ' C ' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 87' ' ' LYS . 16.9 m -152.87 -136.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.429 -0.794 . . . . 0.0 111.057 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 86' ' ' VAL . 7.8 mttp -34.79 -49.49 0.43 Allowed 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.63 -0.669 . . . . 0.0 112.131 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 1.2 pm0 -48.27 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.478 -1.389 . . . . 0.0 110.122 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.654 ' CB ' HG13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -61.22 -46.56 89.94 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 122.283 1.04 . . . . 0.0 108.254 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 13.6 t0 -55.79 -12.47 1.32 Allowed 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.573 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.03 -37.23 11.21 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 120.999 -1.063 . . . . 0.0 109.666 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.55 ' CG2' ' HA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -70.67 -41.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.711 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -68.45 -43.98 75.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.813 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.663 ' C ' HE22 ' A' ' 97' ' ' GLN . 8.4 t70 -58.05 -20.63 40.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.004 ' HG ' HD21 ' A' ' 9' ' ' LEU . 3.7 mm? -92.76 -44.38 8.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.051 -1.03 . . . . 0.0 108.687 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.3 mt -37.16 -68.64 0.14 Allowed 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.416 -0.803 . . . . 0.0 110.643 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.76 -0.65 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.463 -0.773 . . . . 0.0 112.005 179.446 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.53 -37.6 11.83 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.79 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -82.47 -29.82 30.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.103 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.659 HD13 ' CG ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -42.89 -40.28 4.76 Favored Pre-proline 0 C--N 1.303 -1.456 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.27 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 100' ' ' LEU . 36.8 Cg_exo -69.93 2.16 3.88 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 O-C-N 124.621 1.853 . . . . 0.0 112.314 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -43.87 8.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.905 -1.122 . . . . 0.0 112.177 -177.583 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.659 0 O-C-N 121.189 -0.944 . . . . 0.0 110.284 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG12 ' SD ' ' A' ' 27' ' ' MET . 4.0 m . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 122.215 1.007 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -98.51 -45.61 6.05 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.59 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.96 HD22 HD12 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -159.66 142.85 14.18 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.413 -2.055 . . . . 0.0 110.284 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.34 139.16 36.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.071 -1.018 . . . . 0.0 109.68 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -111.12 106.93 21.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.45 -19.11 13.63 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.401 1.096 . . . . 0.0 109.938 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -116.45 123.3 47.16 Favored 'General case' 0 C--N 1.279 -2.478 0 C-N-CA 119.636 -0.825 . . . . 0.0 109.977 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.895 HG21 ' HB2' ' A' ' 24' ' ' LEU . 2.5 t -151.27 148.91 14.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.153 -1.019 . . . . 0.0 108.559 174.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.7 ttm180 -120.9 146.22 46.84 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.731 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 9.3 pt20 -150.03 130.71 14.05 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -37.02 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.703 -0.623 . . . . 0.0 111.296 -174.71 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HD2' ' NE2' ' A' ' 17' ' ' GLN . 14.1 ptpt -78.33 -53.87 6.82 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.573 -1.329 . . . . 0.0 110.247 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.669 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.84 168.3 25.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.586 -0.696 . . . . 0.0 110.002 -175.691 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 8.8 m-20 -106.16 127.66 53.36 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 101.257 -3.608 . . . . 0.0 101.257 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.53 165.63 35.65 Favored Glycine 0 C--N 1.3 -1.431 0 C-N-CA 119.331 -1.414 . . . . 0.0 112.177 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.06 128.58 34.65 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 123.417 1.58 . . . . 0.0 111.893 -175.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.1 mt -107.26 138.77 42.83 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 113.154 -1.839 . . . . 0.0 108.547 -175.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.651 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 5.3 m-85 -118.22 138.24 52.47 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.692 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 31' ' ' ILE . 10.4 tt -114.38 131.56 56.53 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.523 ' HE2' ' CD ' ' A' ' 30' ' ' ARG . 1.4 ttp -121.46 151.59 40.07 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.89 -47.88 0.72 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 122.048 -0.407 . . . . 0.0 110.912 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -109.71 -1.45 18.01 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 120.497 -1.377 . . . . 0.0 112.453 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.597 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -157.71 165.08 36.36 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 119.024 -2.298 . . . . 0.0 113.621 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.657 HD13 ' HA ' ' A' ' 26' ' ' LEU . 2.3 mm -108.39 141.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.736 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -130.66 154.03 48.33 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.946 -1.096 . . . . 0.0 111.319 -178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.839 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 14.2 t90 -123.08 139.19 54.32 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.94 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.06 155.78 33.64 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.642 -0.662 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.318 -1.071 0 O-C-N 123.775 1.408 . . . . 0.0 109.575 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.652 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -153.62 155.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.356 179.149 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.3 m -162.41 103.54 1.09 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.614 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.862 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.59 113.6 26.51 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.161 -0.962 . . . . 0.0 108.942 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.597 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -66.75 108.34 2.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 110.258 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.051 ' CE2' HD13 ' A' ' 99' ' ' LEU . 2.7 m-30 -31.48 -45.0 0.08 Allowed 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.417 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -69.09 -43.78 73.81 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 120.18 -1.575 . . . . 0.0 109.651 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' MET . 78.6 m-20 -67.49 -5.6 15.77 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.326 0.584 . . . . 0.0 109.456 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.9 HD11 ' HD1' ' A' ' 47' ' ' TYR . 13.6 pt -127.61 132.91 68.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 tptp -147.14 103.75 3.62 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 119.359 -2.088 . . . . 0.0 112.13 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.874 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.13 120.77 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 176.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG2' HD11 ' A' ' 100' ' ' LEU . 9.7 mp0 -142.33 120.97 12.57 Favored 'General case' 0 C--N 1.279 -2.463 0 C-N-CA 117.139 -1.824 . . . . 0.0 111.708 -175.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.303 -1.427 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.849 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.668 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.867 0 CA-C-O 122.335 1.064 . . . . 0.0 109.435 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.3 OUTLIER -164.36 83.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.285 -2.231 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -176.676 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 1.1 pm0 -111.08 127.03 55.42 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.722 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -113.0 165.57 12.23 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.548 -1.345 . . . . 0.0 111.527 -178.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -131.37 129.82 41.85 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.722 0.772 . . . . 0.0 110.426 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 4.8 tt -135.11 137.44 42.82 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.927 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -116.19 158.55 16.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-O 122.937 1.351 . . . . 0.0 109.812 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.893 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -91.9 148.34 22.29 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.882 -176.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 8.6 m-70 -44.29 -31.56 1.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -80.15 -143.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.84 53.77 0.63 Allowed Glycine 0 C--N 1.3 -1.443 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.583 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.9 m-20 -127.97 135.9 50.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.831 -0.805 . . . . 0.0 109.045 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.927 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.69 151.45 26.16 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.869 0.842 . . . . 0.0 110.046 -178.485 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . 11.7 m -122.7 110.91 16.09 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.95 131.96 54.59 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.75 -1.219 . . . . 0.0 109.176 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.102 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -138.26 160.84 38.43 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.922 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.698 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 57.7 t-80 -143.34 169.69 17.19 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.856 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.731 ' HE2' HG21 ' A' ' 12' ' ' VAL . 65.5 m-85 . . . . . 0 C--N 1.297 -1.676 0 O-C-N 121.246 -0.909 . . . . 0.0 108.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.596 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 87' ' ' LYS . 33.0 m -134.33 -125.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 O-C-N 119.661 -1.9 . . . . 0.0 112.34 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.517 ' N ' HG23 ' A' ' 86' ' ' VAL . 4.9 mttm -33.98 -48.29 0.3 Allowed 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.384 -0.822 . . . . 0.0 110.725 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -46.68 -68.03 0.23 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 122.588 1.185 . . . . 0.0 109.428 178.198 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.645 ' HB2' HG21 ' A' ' 63' ' ' ILE . 2.1 mmt180 -59.47 -58.76 7.18 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -36.92 -37.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.764 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -67.7 -54.34 20.26 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 12' ' ' VAL . 7.1 t -41.39 -52.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 C-N-CA 119.708 -0.797 . . . . 0.0 108.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -53.38 -56.96 12.48 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 93' ' ' LYS . 22.9 t70 -37.88 -62.87 0.51 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.96 HD12 HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -44.88 -52.93 8.12 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.4 mt -39.86 -65.4 0.4 Allowed 'General case' 0 C--N 1.315 -0.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.491 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -69.61 -3.35 14.6 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.033 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -86.59 -31.59 21.09 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.692 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -91.85 -25.53 18.92 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 53' ' ' GLN . 14.1 mt -43.46 -31.09 0.52 Allowed Pre-proline 0 C--N 1.304 -1.371 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 51.0 Cg_exo -70.37 -35.75 10.32 Favored 'Trans proline' 0 C--N 1.301 -1.968 0 O-C-N 124.439 1.757 . . . . 0.0 111.766 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 99' ' ' LEU . 16.8 mttt -56.41 -33.86 66.19 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.961 -1.087 . . . . 0.0 111.844 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.723 0 C-N-CA 118.528 -1.269 . . . . 0.0 110.223 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.87 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.659 0.742 . . . . 0.0 109.174 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD2' HD23 ' A' ' 95' ' ' LEU . 57.2 tp -98.88 -42.6 7.08 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.586 -0.846 . . . . 0.0 112.495 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 11' ' ' ILE . 7.1 tt -170.61 160.29 7.11 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 119.383 -2.073 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.725 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.19 143.01 30.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.804 0.811 . . . . 0.0 109.943 179.278 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.818 HG13 ' NH1' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -125.65 126.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.027 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -70.11 -82.63 0.04 OUTLIER 'General case' 0 C--O 1.188 -2.177 0 C-N-CA 117.267 -1.773 . . . . 0.0 109.352 -178.71 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.9 tptt -49.18 124.42 8.95 Favored 'General case' 0 C--N 1.273 -2.755 0 O-C-N 119.674 -1.891 . . . . 0.0 112.278 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.076 HG21 ' HB2' ' A' ' 24' ' ' LEU . 38.8 t -150.8 150.78 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.127 172.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 4.9 tpp180 -126.4 125.36 42.06 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.884 0.85 . . . . 0.0 109.863 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.632 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.6 pt20 -129.42 133.84 47.54 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.21 -23.33 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.872 -0.517 . . . . 0.0 111.344 -173.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.637 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -77.28 -55.7 5.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.504 -1.372 . . . . 0.0 109.796 177.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 tp-100 -151.64 168.61 24.44 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.345 -172.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -105.29 130.31 53.44 Favored 'General case' 0 C--N 1.295 -1.778 1 N-CA-C 99.176 -4.379 . . . . 0.0 99.176 175.769 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.96 166.21 36.16 Favored Glycine 0 C--N 1.293 -1.828 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.027 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.29 139.12 31.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 122.983 1.373 . . . . 0.0 111.777 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.076 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.6 mt -108.91 130.92 55.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.82 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.672 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.3 m-85 -112.58 139.54 48.08 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -123.57 138.96 54.45 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 119.832 -1.792 . . . . 0.0 108.592 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.87 ' SD ' HG12 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -128.99 149.23 50.91 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.054 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -40.98 -58.49 1.71 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.326 -0.859 . . . . 0.0 110.047 -178.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tp10 -87.12 -6.21 58.74 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 113.11 -175.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.577 ' CZ ' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -158.65 164.36 36.05 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 119.166 -2.209 . . . . 0.0 112.905 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.796 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -110.74 131.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.383 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -118.83 150.99 38.9 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 121.075 -1.016 . . . . 0.0 110.999 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.882 ' N ' HG22 ' A' ' 43' ' ' ILE . 22.6 t90 -129.94 142.33 50.66 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.842 0.829 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.44 114.29 3.05 Favored Pre-proline 0 C--N 1.294 -1.814 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.571 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 O-C-N 123.95 1.5 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.677 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.762 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.882 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.32 158.9 4.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.832 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -168.1 101.86 0.45 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.094 177.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.796 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -109.88 121.97 46.46 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.017 -1.052 . . . . 0.0 109.906 179.697 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.42 110.34 3.07 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.298 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.862 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -34.14 -37.83 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 112.003 -177.618 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 120.064 -1.647 . . . . 0.0 107.811 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.612 ' C ' HD13 ' A' ' 50' ' ' ILE . 9.0 m-20 -59.65 -5.98 1.03 Allowed 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.183 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.6 112.9 33.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.661 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 1.2 tmtt? -130.05 103.1 6.56 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 116.349 -2.14 . . . . 0.0 112.613 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.822 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.42 133.38 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.699 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.964 ' HG2' HD22 ' A' ' 100' ' ' LEU . 4.2 mp0 -143.67 128.01 17.81 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 117.062 -1.855 . . . . 0.0 112.185 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.301 -1.541 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.695 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.193 -1.883 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.194 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER 87.07 80.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 120.935 1.698 . . . . 0.0 112.931 178.197 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 3.8 pm0 -133.41 133.27 42.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.49 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.783 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -119.93 166.85 12.78 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.833 -1.167 . . . . 0.0 110.519 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -145.72 126.4 14.28 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.465 -0.772 . . . . 0.0 109.657 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -136.58 150.28 48.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.822 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.3 t -120.78 158.0 23.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 C-N-CA 118.169 -1.412 . . . . 0.0 111.374 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -85.29 144.83 27.85 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 114.324 -1.307 . . . . 0.0 108.018 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.3 p80 -48.95 -36.1 16.63 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.55 -152.77 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.574 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.87 54.51 0.55 Allowed Glycine 0 C--N 1.299 -1.474 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.664 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 m-20 -129.41 139.23 51.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.881 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.761 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.43 157.85 18.05 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.509 ' CB ' HD23 ' A' ' 67' ' ' LEU . 1.4 m -127.66 105.89 8.78 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m120 -111.77 139.8 46.95 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.668 -1.27 . . . . 0.0 108.439 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.017 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.23 142.47 24.17 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.698 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' A' ' 79' ' ' PHE . 6.8 t-80 -141.31 163.48 32.84 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 122.16 0.981 . . . . 0.0 111.971 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.398 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.746 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -151.71 -153.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 120.55 -1.343 . . . . 0.0 111.877 -178.129 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.55 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -37.82 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.394 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -47.85 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.601 -1.312 . . . . 0.0 109.286 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.818 ' NH1' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.275 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.55 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -54.63 -13.35 0.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.574 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.39 -32.32 12.42 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.4 t -58.93 -52.46 60.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.713 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.1 tttm -56.76 -50.3 72.67 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CA ' HE22 ' A' ' 97' ' ' GLN . 17.3 t70 -47.65 -22.19 0.47 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 121.181 0.515 . . . . 0.0 109.727 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 ' CD2' ' A' ' 9' ' ' LEU . 6.2 mp -88.83 -49.7 6.66 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.783 HD13 ' HG ' ' A' ' 65' ' ' LEU . 21.8 mt -37.27 -68.37 0.15 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.898 0.856 . . . . 0.0 111.381 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.713 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.14 -0.86 0.83 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.532 -0.73 . . . . 0.0 110.122 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -91.72 -38.93 12.1 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.852 -1.155 . . . . 0.0 108.451 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.862 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.86 -28.45 26.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.964 HD22 ' HG2' ' A' ' 53' ' ' GLN . 12.8 mt -47.33 -34.9 5.26 Favored Pre-proline 0 C--N 1.304 -1.399 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 32.2 Cg_exo -74.49 -0.26 9.51 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 O-C-N 124.401 1.737 . . . . 0.0 111.354 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 99' ' ' LEU . 6.6 tttt -87.32 -41.96 13.25 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.847 . . . . 0.0 111.422 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.739 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.434 -0.791 . . . . 0.0 109.473 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.587 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.627 0.727 . . . . 0.0 109.522 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.954 ' HG ' HD13 ' A' ' 95' ' ' LEU . 12.7 tp -98.59 -41.71 7.61 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.639 -0.824 . . . . 0.0 112.582 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -174.07 159.05 3.2 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 119.241 -2.162 . . . . 0.0 111.385 179.698 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.48 141.83 32.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.465 0.65 . . . . 0.0 110.017 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.775 HG21 HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -124.05 126.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.606 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.012 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 36.9 tttt -63.87 -82.45 0.02 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 117.629 -1.628 . . . . 0.0 109.093 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -49.15 123.82 7.93 Favored 'General case' 0 C--N 1.272 -2.782 0 O-C-N 119.83 -1.794 . . . . 0.0 112.16 -176.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.025 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.09 146.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 10.0 tpp180 -122.56 134.61 54.53 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.755 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 12.7 pt20 -139.67 134.72 32.39 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mtpp -36.17 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.992 -0.442 . . . . 0.0 111.544 -173.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.652 ' HD3' ' NE2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -83.2 -53.28 5.89 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.36 -1.462 . . . . 0.0 110.081 177.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.67 24.2 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.478 0.656 . . . . 0.0 111.006 -174.227 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.625 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.79 131.34 53.24 Favored 'General case' 0 C--N 1.298 -1.646 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 175.536 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.1 166.46 36.35 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.012 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.24 136.95 33.29 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 122.878 1.323 . . . . 0.0 110.915 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.025 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -108.69 133.82 52.26 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.749 -175.739 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.612 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.8 m-85 -113.95 138.76 49.9 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 92' ' ' VAL . 1.4 mp -117.08 135.89 53.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.126 -1.609 . . . . 0.0 108.29 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.587 ' SD ' HG12 ' A' ' 8' ' ' VAL . 9.8 ttm -126.02 143.49 51.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.38 -57.61 2.96 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.276 -0.89 . . . . 0.0 109.176 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.9 tt0 -85.42 -6.2 59.23 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.688 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -164.0 165.04 22.91 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 119.393 -2.067 . . . . 0.0 111.72 179.131 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.59 HG13 ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -109.02 135.45 47.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -121.38 146.82 46.48 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.121 -0.987 . . . . 0.0 111.278 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.906 ' N ' HG22 ' A' ' 43' ' ' ILE . 21.8 t90 -126.59 143.3 51.26 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.998 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.535 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.06 120.75 3.6 Favored Pre-proline 0 C--N 1.297 -1.702 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.019 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 42' ' ' THR . 2.7 Cg_endo . . . . . 0 C--N 1.307 -1.644 0 O-C-N 123.904 1.476 . . . . 0.0 110.25 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.656 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.906 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -151.7 159.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 C-N-CA 119.036 -1.066 . . . . 0.0 111.793 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.1 t -167.79 102.39 0.48 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.661 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.86 121.5 45.38 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 120.933 -1.104 . . . . 0.0 109.311 179.03 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.76 118.07 12.16 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.794 179.392 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CE2' HD13 ' A' ' 99' ' ' LEU . 5.0 m-30 -40.65 -45.44 2.36 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.632 -0.667 . . . . 0.0 110.475 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.26 -33.95 74.03 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 120.001 -1.687 . . . . 0.0 108.253 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 46' ' ' MET . 4.7 m-20 -67.57 -4.1 10.73 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.525 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.864 HG22 HD13 ' A' ' 69' ' ' LEU . 39.4 pt -138.67 136.26 43.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.558 -0.714 . . . . 0.0 109.084 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 2.8 tmtt? -141.25 103.37 4.42 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 116.319 -2.152 . . . . 0.0 112.846 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.681 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 8.7 t 172.55 133.33 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.765 ' HB3' HD21 ' A' ' 100' ' ' LEU . 11.3 mp0 -144.0 127.63 17.09 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 117.234 -1.787 . . . . 0.0 111.754 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.302 -1.483 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 1.21 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.192 -1.951 0 CA-C-O 117.78 -1.105 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.21 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER 85.55 81.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 122.688 1.233 . . . . 0.0 114.251 179.123 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.2 131.24 52.03 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.531 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.865 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.99 167.29 16.1 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 120.845 -1.159 . . . . 0.0 109.626 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 121.108 -0.995 . . . . 0.0 111.008 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -135.31 152.41 51.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.063 HG22 HG23 ' A' ' 74' ' ' THR . 3.3 t -128.23 158.18 40.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 C-N-CA 117.923 -1.511 . . . . 0.0 110.865 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -90.53 142.69 27.48 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.993 -177.19 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.491 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.6 p-80 -46.14 -31.39 2.37 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.48 -154.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.53 51.63 0.69 Allowed Glycine 0 C--N 1.297 -1.621 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.611 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 42.1 m-20 -129.33 132.04 47.03 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.063 HG23 HG22 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.66 161.84 14.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.058 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.1 m -134.65 104.68 6.15 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.5 m-20 -109.6 146.37 34.84 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.859 -1.151 . . . . 0.0 108.21 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -147.65 147.93 30.52 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.208 -1.397 . . . . 0.0 110.625 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -141.21 165.54 27.25 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 122.165 0.984 . . . . 0.0 110.356 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.897 ' CD2' HG22 ' A' ' 15' ' ' VAL . 54.0 m-85 . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 87' ' ' LYS . 93.8 t -131.11 -95.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 119.368 -2.082 . . . . 0.0 110.541 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 90' ' ' ASP . 6.0 mtmt -35.56 -70.31 0.09 Allowed 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.357 -0.839 . . . . 0.0 111.861 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -35.91 -65.91 0.23 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.981 0.895 . . . . 0.0 109.806 -178.058 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.662 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.8 mmt180 -56.83 -39.62 74.56 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.665 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.5 t0 -54.61 -16.21 2.29 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -94.22 -36.83 11.84 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.875 HG13 HD22 ' A' ' 26' ' ' LEU . 7.0 t -57.77 -55.21 22.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.5 tttm -55.15 -53.01 61.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.585 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 t0 -39.91 -26.69 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.954 HD13 ' HG ' ' A' ' 9' ' ' LEU . 1.3 mt -84.57 -47.81 10.18 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.818 ' O ' HD13 ' A' ' 100' ' ' LEU . 3.0 mt -37.69 -61.01 0.66 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.571 0.7 . . . . 0.0 110.368 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.22 -2.19 9.87 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.913 -178.757 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.76 -31.26 12.74 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.32 -0.863 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.06 -31.97 14.65 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.887 -1.133 . . . . 0.0 109.019 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 96' ' ' LEU . 5.8 mp -47.07 -38.1 12.1 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.7 Cg_exo -68.7 -3.33 11.01 Favored 'Trans proline' 0 C--N 1.301 -1.924 0 O-C-N 124.443 1.759 . . . . 0.0 111.487 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 3.6 tttt -87.34 -42.88 12.55 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.205 -0.934 . . . . 0.0 111.774 -178.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.611 0 O-C-N 121.409 -0.807 . . . . 0.0 110.249 -176.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.2 m . . . . . 0 C--O 1.215 -0.749 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 95' ' ' LEU . 18.2 tp -99.08 -40.83 7.82 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.318 -0.953 . . . . 0.0 113.182 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 10.3 tp -167.05 163.86 15.85 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 119.095 -2.253 . . . . 0.0 111.757 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.25 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.941 HG21 ' HE2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -126.26 101.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 CA-C-O 122.323 1.059 . . . . 0.0 110.804 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.797 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -51.71 -18.32 1.18 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.057 179.245 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.0 tptt -115.17 114.79 25.74 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.956 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.1 t -150.64 147.61 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 C-N-CA 118.003 -1.479 . . . . 0.0 110.227 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 11.6 tpp180 -125.35 128.98 49.02 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.743 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -134.55 138.44 44.62 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.39 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.005 -0.434 . . . . 0.0 111.447 -174.224 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.635 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -81.13 -56.83 3.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.376 -1.453 . . . . 0.0 109.705 177.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.2 mm-40 -151.66 169.01 23.21 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.845 0.831 . . . . 0.0 111.218 -173.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.51 133.05 50.9 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 100.366 -3.939 . . . . 0.0 100.366 176.492 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.19 36.18 Favored Glycine 0 C--N 1.294 -1.768 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.79 137.38 33.22 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 122.804 1.288 . . . . 0.0 109.104 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.112 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -108.32 134.66 50.83 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.377 -175.018 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.694 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.1 m-85 -110.99 137.53 48.5 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 99' ' ' LEU . 7.1 tt -119.22 136.38 54.24 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 119.92 -1.738 . . . . 0.0 107.305 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.762 ' CE ' HG12 ' A' ' 8' ' ' VAL . 7.8 ttt -129.85 142.89 50.6 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -42.14 -56.79 2.74 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.115 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.521 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.3 tp10 -86.07 -8.86 57.6 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.919 -175.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -160.62 162.95 32.93 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.33 -2.106 . . . . 0.0 111.882 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -109.72 128.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -113.53 155.68 24.94 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.344 -0.848 . . . . 0.0 110.512 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.94 ' O ' HG22 ' A' ' 42' ' ' THR . 25.9 t90 -138.16 140.81 40.01 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.813 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.62 135.83 10.12 Favored Pre-proline 0 C--N 1.294 -1.836 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.821 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.314 -1.285 0 O-C-N 123.888 1.467 . . . . 0.0 108.522 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 1.006 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.3 t . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.006 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -142.69 171.72 9.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 O-C-N 120.93 -1.107 . . . . 0.0 109.836 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -162.03 115.22 1.8 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.585 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.724 ' CE1' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 120.889 -1.132 . . . . 0.0 110.266 -178.75 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.07 108.82 3.71 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -39.15 -41.75 0.87 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.743 -0.598 . . . . 0.0 110.846 -178.395 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . . . -66.18 -46.23 78.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.159 -1.588 . . . . 0.0 108.229 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' MET . 3.0 m-20 -47.29 -31.39 3.79 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.0 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.9 pp -109.55 153.32 11.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.386 -177.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.63 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 9.1 tptt -144.57 102.99 3.89 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 117.489 -1.684 . . . . 0.0 110.907 177.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.873 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.19 128.72 0.02 OUTLIER 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.179 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 67' ' ' LEU . 10.6 mm-40 -144.09 125.27 14.57 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 117.755 -1.578 . . . . 0.0 110.84 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.901 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.93 HD13 ' C ' ' A' ' 89' ' ' ARG 0.326 0.0 OUTLIER 75.31 83.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 123.859 1.79 . . . . 0.0 113.041 178.971 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HB3' ' HD2' ' A' ' 78' ' ' HIS . 4.0 pt20 -124.01 134.65 53.4 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.887 -1.96 . . . . 0.0 108.232 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.58 163.56 23.14 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.542 -1.349 . . . . 0.0 110.06 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -146.09 131.61 18.76 Favored 'General case' 0 C--N 1.314 -0.94 0 O-C-N 121.301 -0.875 . . . . 0.0 111.218 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.0 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -136.27 150.21 48.83 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -178.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 74' ' ' THR . 2.0 t -128.3 157.82 40.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 123.268 1.508 . . . . 0.0 111.405 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -90.07 146.66 24.16 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.558 -176.561 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.63 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 80.7 m-70 -45.6 -32.5 2.36 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.33 -154.28 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.373 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.81 51.79 0.68 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.1 t0 -128.79 128.67 44.42 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 68' ' ' VAL . 6.6 m -108.5 163.28 13.36 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 9.7 m -128.14 112.5 14.62 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -109.45 136.09 49.42 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.112 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -145.72 143.96 30.07 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.74 ' NE2' ' HG2' ' A' ' 62' ' ' LYS . 60.8 t-80 -141.4 164.06 31.25 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.144 0.973 . . . . 0.0 110.89 -177.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.941 ' HE2' HG21 ' A' ' 12' ' ' VAL . 22.5 m-85 . . . . . 0 C--N 1.289 -2.054 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.755 0 CA-C-O 122.811 1.291 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.731 HG22 ' OE2' ' A' ' 88' ' ' GLU . 13.1 m -150.98 -143.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.583 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -40.48 -56.23 2.1 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 121.447 -0.783 . . . . 0.0 110.873 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.731 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -38.95 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.236 1.017 . . . . 0.0 110.443 -179.477 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.93 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.6 mmt180 -56.65 -42.27 78.65 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 87' ' ' LYS . 4.0 t70 -54.86 -13.05 0.93 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.583 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -95.55 -37.94 10.65 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.908 HG21 HG11 ' A' ' 12' ' ' VAL . 13.4 t -58.19 -50.97 76.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 ttpp -56.86 -50.87 71.16 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . 35.7 t70 -41.08 -29.18 0.11 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.2 mt -85.06 -43.72 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.902 ' HA ' HD11 ' A' ' 99' ' ' LEU . 20.7 mt -38.67 -66.13 0.3 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.223 1.011 . . . . 0.0 110.186 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.852 ' HA ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -60.79 -2.08 0.5 Allowed 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.514 -0.741 . . . . 0.0 110.671 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -103.3 -23.79 13.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.955 -1.091 . . . . 0.0 110.167 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -92.6 -34.98 13.8 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 120.85 -1.156 . . . . 0.0 109.437 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -48.87 -36.26 12.61 Favored Pre-proline 0 C--N 1.305 -1.334 0 C-N-CA 118.559 -1.257 . . . . 0.0 108.385 -178.06 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD3' ' CG ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -70.58 -11.04 29.13 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.287 1.677 . . . . 0.0 111.424 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.49 -47.64 19.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 111.164 -178.543 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.72 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 O-C-N 121.568 -0.708 . . . . 0.0 110.408 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 ' SD ' ' A' ' 27' ' ' MET . 2.6 m . . . . . 0 C--O 1.215 -0.757 0 CA-C-O 121.536 0.684 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 33.5 tp -98.46 -28.92 13.4 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 112.813 -176.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' LEU . 29.5 tp -177.48 145.13 0.42 Allowed 'General case' 0 C--O 1.208 -1.113 0 O-C-N 119.283 -2.136 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.686 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.1 141.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.38 -0.825 . . . . 0.0 109.675 179.568 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.7 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.8 OUTLIER -116.67 103.92 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 121.911 0.862 . . . . 0.0 108.949 178.729 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.73 -18.79 9.05 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.242 1.02 . . . . 0.0 110.241 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.4 tptp -113.61 118.65 34.99 Favored 'General case' 0 C--N 1.278 -2.513 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.063 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 24' ' ' LEU . 4.9 t -151.07 148.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.361 174.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 2.1 ttm180 -122.86 146.11 47.85 Favored 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.729 ' NE2' ' CE2' ' A' ' 33' ' ' TRP . 12.4 pt20 -148.25 133.87 18.8 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.72 -23.64 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.196 0 O-C-N 121.766 -0.584 . . . . 0.0 111.116 -174.531 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -79.54 -55.36 5.1 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.561 -1.337 . . . . 0.0 110.181 178.102 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.641 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 45.7 mm-40 -151.75 168.7 24.21 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.527 0.68 . . . . 0.0 110.196 -175.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -105.97 128.42 53.8 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 101.924 -3.362 . . . . 0.0 101.924 176.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.559 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.67 165.77 35.79 Favored Glycine 0 C--N 1.299 -1.492 0 C-N-CA 119.902 -1.142 . . . . 0.0 111.355 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.27 131.9 34.68 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 123.287 1.517 . . . . 0.0 111.138 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.048 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -107.57 135.46 48.99 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.367 -1.742 . . . . 0.0 108.499 -175.691 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.68 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 3.6 m-85 -115.75 136.35 53.14 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 27' ' ' MET . 1.5 tt -112.91 132.03 55.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.138 -1.601 . . . . 0.0 106.754 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.697 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.2 ttp -122.73 152.25 40.77 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.71 -55.19 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.03 -0.419 . . . . 0.0 110.906 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 tt0 -104.7 -0.41 27.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.42 -1.425 . . . . 0.0 112.389 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -155.29 162.65 40.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 119.191 -2.193 . . . . 0.0 113.427 -178.773 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 47' ' ' TYR . 1.2 mt -109.65 131.71 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.415 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -115.72 160.72 19.7 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.944 0.878 . . . . 0.0 110.761 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 21.4 t90 -136.53 145.41 45.03 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.322 1.058 . . . . 0.0 110.942 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.9 104.68 3.02 Favored Pre-proline 0 C--N 1.29 -1.995 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.796 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 33' ' ' TRP . 1.5 Cg_endo . . . . . 0 C--N 1.304 -1.766 0 O-C-N 124.193 1.628 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 121.015 0.436 . . . . 0.0 109.849 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.651 HD12 ' NE2' ' A' ' 45' ' ' HIS . 2.7 pt -150.61 177.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 118.905 -1.118 . . . . 0.0 112.454 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -168.83 114.3 0.6 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.651 ' NE2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.12 120.1 41.5 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.814 -1.179 . . . . 0.0 110.024 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.538 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -65.64 104.43 1.03 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.695 -0.628 . . . . 0.0 109.601 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.023 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -29.04 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.194 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -66.82 -46.17 76.02 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.123 -1.61 . . . . 0.0 108.874 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' MET . 76.3 m-20 -62.32 -12.38 20.65 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -111.33 118.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 24.5 tptp -137.9 102.72 4.79 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 116.154 -2.219 . . . . 0.0 112.064 178.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.876 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 171.92 125.63 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.555 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.869 ' HG3' HD13 ' A' ' 100' ' ' LEU . 1.8 mt-30 -142.51 122.65 13.75 Favored 'General case' 0 C--N 1.281 -2.38 0 C-N-CA 116.947 -1.901 . . . . 0.0 111.575 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tttt . . . . . 0 C--N 1.303 -1.443 0 CA-C-N 113.395 -1.729 . . . . 0.0 108.094 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.641 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.819 0 CA-C-O 122.356 1.074 . . . . 0.0 109.675 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.732 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -158.28 84.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.346 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -175.687 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -109.12 131.25 55.25 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.916 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.08 165.98 14.55 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.802 -1.186 . . . . 0.0 111.313 -178.538 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -133.7 130.44 38.16 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.784 0.802 . . . . 0.0 110.529 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.072 HD21 HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -134.46 130.37 36.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.0 t -109.95 158.37 10.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 122.955 1.359 . . . . 0.0 110.334 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -88.33 147.79 24.6 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.625 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 9.5 m-70 -46.9 -31.43 3.11 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -77.89 -149.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.095 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 52.94 0.6 Allowed Glycine 0 C--N 1.302 -1.354 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.586 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 m-20 -127.98 141.06 51.63 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.235 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -109.02 155.07 21.33 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.829 0.824 . . . . 0.0 109.546 -178.826 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -130.71 104.41 7.17 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -110.91 139.44 46.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.788 -1.195 . . . . 0.0 109.512 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 1.048 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.79 153.73 44.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.625 1.203 . . . . 0.0 111.013 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.697 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -135.28 168.96 18.21 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.678 -1.147 . . . . 0.0 109.104 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.056 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 91.4 m-85 . . . . . 0 C--N 1.296 -1.751 0 O-C-N 121.331 -0.856 . . . . 0.0 109.613 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--O 1.215 -0.739 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 87' ' ' LYS . 29.0 m -142.34 -123.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 119.279 -2.138 . . . . 0.0 112.62 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 tttt -34.21 -51.88 0.45 Allowed 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.494 -0.753 . . . . 0.0 110.722 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -41.68 -61.06 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.016 0.913 . . . . 0.0 109.767 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 1.9 mmp_? -64.52 -48.51 74.85 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 9.9 t0 -37.96 -45.23 0.86 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -66.97 -48.94 66.96 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.056 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 24.4 t -41.18 -58.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.636 ' CB ' HD11 ' A' ' 63' ' ' ILE . 11.0 ttpp -63.79 -31.8 73.1 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 91' ' ' ALA . 3.6 t70 -64.04 -13.6 48.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 95' ' ' LEU . 2.5 mm? -99.8 -47.12 5.16 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.3 mt -45.26 -66.09 0.45 Allowed 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.704 -0.622 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -62.23 -1.77 0.82 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.941 -1.099 . . . . 0.0 110.807 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.448 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -94.06 -38.66 11.02 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.861 -1.149 . . . . 0.0 109.199 179.635 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.11 -27.69 32.68 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 121.118 -0.989 . . . . 0.0 108.469 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.869 HD13 ' HG3' ' A' ' 53' ' ' GLN . 4.3 tp -43.65 -33.84 1.07 Allowed Pre-proline 0 C--N 1.31 -1.15 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 40.7 Cg_exo -76.27 -34.79 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.651 1.869 . . . . 0.0 110.537 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -49.23 -35.05 16.34 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.592 -0.692 . . . . 0.0 110.875 -179.474 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.082 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.34 -18.25 14.93 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.263 -0.898 . . . . 0.0 109.432 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -62.93 1.47 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.269 -0.894 . . . . 0.0 109.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' A' ' 5' ' ' SER . 1.3 t -150.22 -92.75 0.07 Allowed 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.25 -0.906 . . . . 0.0 109.499 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.494 ' N ' ' OG ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -138.5 -178.67 5.4 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.283 -0.886 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.74 161.43 10.12 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.179 -0.951 . . . . 0.0 109.426 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.2 110.68 17.31 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.477 -0.764 . . . . 0.0 109.177 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 26' ' ' LEU . 3.4 p -98.92 154.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 120.745 -1.222 . . . . 0.0 109.349 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD23 HD21 ' A' ' 26' ' ' LEU . 61.8 tp -99.13 -51.34 3.86 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.424 -0.797 . . . . 0.0 112.504 -177.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 52.6 tp -158.79 160.4 36.24 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 119.58 -1.95 . . . . 0.0 110.626 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -139.48 139.27 39.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 O-C-N 121.305 -0.872 . . . . 0.0 109.358 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 92' ' ' VAL . 9.8 m -122.0 102.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.927 0.87 . . . . 0.0 109.498 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.67 -18.56 12.65 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.844 0.83 . . . . 0.0 110.998 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -116.08 117.52 30.33 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.522 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.987 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.81 149.8 13.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.134 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -123.81 131.23 53.55 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.633 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 10.7 pt20 -138.63 136.62 36.12 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLN . 39.3 mttp -36.47 -23.69 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.91 -0.494 . . . . 0.0 111.095 -174.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -79.54 -57.51 3.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.524 -1.36 . . . . 0.0 109.65 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.631 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -151.92 169.34 22.54 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.689 0.757 . . . . 0.0 111.015 -174.25 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -105.55 129.76 53.75 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 100.265 -3.976 . . . . 0.0 100.265 176.097 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.605 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.73 165.99 35.92 Favored Glycine 0 C--N 1.296 -1.688 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.37 138.24 32.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 123.304 1.526 . . . . 0.0 110.561 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.111 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.3 mt -108.03 130.31 55.08 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.231 -1.804 . . . . 0.0 110.141 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.669 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -112.69 134.69 54.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.762 HD21 HD23 ' A' ' 9' ' ' LEU . 6.9 tp -114.74 130.74 56.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.575 -1.953 . . . . 0.0 107.439 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.552 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.72 153.57 31.13 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -38.23 -56.05 1.25 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.75 -0.594 . . . . 0.0 111.293 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tt0 -103.95 8.84 36.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.195 -1.566 . . . . 0.0 112.373 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG2' ' HB3' ' A' ' 27' ' ' MET . 0.3 OUTLIER -157.86 165.2 35.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 119.403 -2.06 . . . . 0.0 112.918 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.756 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -111.67 124.38 68.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.714 ' HB1' ' CG ' ' A' ' 41' ' ' PHE . . . -109.97 156.95 19.81 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.117 -0.989 . . . . 0.0 111.248 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 23.5 t90 -135.79 145.61 46.71 Favored 'General case' 0 C--O 1.199 -1.592 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.343 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.109 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.81 162.09 28.11 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.701 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.518 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.3 Cg_endo -113.04 -173.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.918 1.483 . . . . 0.0 108.419 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -48.04 96.64 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.867 -1.145 . . . . 0.0 109.015 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -140.97 -128.43 2.41 Favored Glycine 0 C--O 1.215 -1.081 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.22 -100.08 0.38 Allowed 'General case' 0 C--N 1.308 -1.23 0 O-C-N 121.23 -1.159 . . . . 0.0 109.951 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.88 21.29 3.06 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.885 -1.134 . . . . 0.0 109.878 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -111.55 -159.67 0.69 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.162 -0.961 . . . . 0.0 108.791 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.109 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -140.04 147.13 39.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.595 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 33' ' ' TRP . 1.5 t -65.33 -33.12 75.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.897 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.758 HG23 HG23 ' A' ' 42' ' ' THR . 1.2 pp -147.51 177.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 O-C-N 121.189 -0.944 . . . . 0.0 111.258 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -166.68 119.9 1.03 Allowed 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.756 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -109.3 118.64 37.23 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 120.885 -1.135 . . . . 0.0 109.043 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.54 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -67.52 118.68 11.16 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.766 0.793 . . . . 0.0 110.259 -179.423 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.921 ' CE2' HD13 ' A' ' 99' ' ' LEU . 8.0 m-30 -40.61 -46.44 2.55 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.86 -0.525 . . . . 0.0 110.207 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -32.31 71.37 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.177 -1.577 . . . . 0.0 108.585 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 1.3 m-20 -68.94 -4.31 16.14 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.448 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 67' ' ' LEU . 36.4 pt -138.87 142.35 34.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.513 -0.742 . . . . 0.0 109.23 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CE ' ' HE2' ' A' ' 104' ' ' LYS . 21.6 tptp -144.67 103.56 3.94 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 119.413 -2.054 . . . . 0.0 112.961 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.661 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 10.5 t 172.61 132.01 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.779 ' NE2' HD13 ' A' ' 100' ' ' LEU . 37.4 mt-30 -144.0 125.17 14.54 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 117.359 -1.736 . . . . 0.0 111.439 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.68 127.78 45.69 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 93' ' ' LYS . 10.6 mm -108.8 103.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.925 -1.11 . . . . 0.0 108.218 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.675 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -115.95 23.51 0.09 OUTLIER Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.077 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.835 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 4.7 Cg_endo -119.61 63.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.318 -1.066 0 C-N-CA 114.235 -3.377 . . . . 0.0 112.177 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -106.29 -40.65 5.55 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -143.71 49.82 0.7 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 106.152 -2.779 . . . . 0.0 106.152 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 56' ' ' SER . 9.9 mmtt -115.82 -175.41 2.72 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.248 -1.148 . . . . 0.0 113.244 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -30.43 -72.65 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.207 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -168.59 42.88 0.04 OUTLIER 'General case' 0 C--O 1.196 -1.741 0 C-N-CA 118.501 -1.28 . . . . 0.0 112.05 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.835 ' HA ' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER 89.19 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 123.196 1.474 . . . . 0.0 114.405 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 11.9 pt20 -129.45 129.83 45.13 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.021 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.782 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.1 165.47 12.87 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.883 -1.136 . . . . 0.0 110.069 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.92 132.03 20.43 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.386 -0.822 . . . . 0.0 110.735 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -136.96 151.84 49.47 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -125.76 158.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.296 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.892 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.68 143.35 26.82 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.655 -177.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.0 p80 -45.47 -31.67 1.85 Allowed 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -73.38 -153.71 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.44 51.8 0.68 Allowed Glycine 0 C--N 1.298 -1.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.626 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -129.61 132.77 46.85 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.455 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.093 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.41 162.93 13.48 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -133.61 107.1 7.78 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 3.4 m-20 -110.41 138.05 47.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.901 -1.124 . . . . 0.0 108.191 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.111 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.64 150.86 40.8 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.09 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.652 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 61.8 t-80 -143.08 152.74 42.19 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.451 1.119 . . . . 0.0 111.015 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 22.6 m-85 -127.87 136.88 52.0 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.886 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -177.25 143.48 0.39 Allowed 'General case' 0 C--N 1.312 -1.045 0 O-C-N 118.648 -2.533 . . . . 0.0 109.687 177.264 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.585 ' HB2' ' CB ' ' A' ' 84' ' ' THR . 5.6 m120 -151.36 -175.57 5.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.52 -37.09 47.66 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m -151.23 21.71 0.75 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.537 -0.727 . . . . 0.0 110.739 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.585 ' CB ' ' HB2' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -108.86 13.23 25.0 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.393 -1.442 . . . . 0.0 110.42 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.886 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -92.94 70.7 4.65 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 120.583 -1.323 . . . . 0.0 107.668 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.26 -140.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 O-C-N 121.2 -0.938 . . . . 0.0 112.012 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 mttm -35.01 -53.5 0.58 Allowed 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.732 -0.605 . . . . 0.0 111.924 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -38.58 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 122.989 1.376 . . . . 0.0 109.693 -179.251 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.799 ' HG3' HD11 ' A' ' 63' ' ' ILE . 6.2 mmt180 -59.3 -41.17 88.35 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 3.8 t0 -40.95 -59.02 1.55 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.551 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -61.56 -36.09 79.63 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.405 -0.809 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 38.9 t -49.52 -67.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.658 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -49.45 -48.89 47.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.551 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 16.9 t0 -44.85 -24.37 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.745 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 98' ' ' GLN . 4.1 mt -82.01 -50.36 9.2 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.9 mt -38.04 -63.8 0.45 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.744 0.783 . . . . 0.0 110.289 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -66.03 -4.21 6.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.466 -0.771 . . . . 0.0 110.096 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 95' ' ' LEU . 4.2 tt0 -88.8 -35.9 16.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.921 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.42 -25.71 22.52 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.056 -1.028 . . . . 0.0 108.366 178.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 tp -44.62 -29.17 0.49 Allowed Pre-proline 0 C--N 1.298 -1.67 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.0 Cg_exo -76.78 -4.69 15.23 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 O-C-N 124.35 1.711 . . . . 0.0 112.499 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 99' ' ' LEU . 7.9 mttt -86.88 -45.07 11.19 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 120.688 -1.257 . . . . 0.0 111.238 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 2.4 p90 -105.24 3.21 29.81 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.501 -0.749 . . . . 0.0 109.72 -177.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' CD ' ' O ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -159.55 97.5 1.33 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -69.06 127.77 34.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.964 -1.085 . . . . 0.0 109.556 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -52.62 4.32 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.328 -0.857 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.24 160.36 21.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.266 -0.897 . . . . 0.0 109.324 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.314 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.405 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.23 -15.88 8.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.255 -0.903 . . . . 0.0 109.507 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 117.82 7.98 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.227 -0.921 . . . . 0.0 109.446 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -83.6 64.7 8.08 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.273 -0.892 . . . . 0.0 109.481 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -106.04 -160.99 0.77 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.21 -0.931 . . . . 0.0 109.277 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.589 ' HB2' ' CE ' ' A' ' 27' ' ' MET . 0.6 OUTLIER -59.94 152.16 24.29 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 0.0 109.403 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -120.88 109.96 15.75 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.167 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.732 HG12 ' SD ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -98.76 154.3 4.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.271 -1.518 . . . . 0.0 108.042 -178.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CD2' ' A' ' 95' ' ' LEU . 23.4 tp -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.153 -1.019 . . . . 0.0 113.578 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.64 ' H ' HD23 ' A' ' 26' ' ' LEU . 24.5 tp -176.1 162.02 2.46 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.099 -2.25 . . . . 0.0 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.23 141.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 121.609 -0.682 . . . . 0.0 110.383 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.973 HG22 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -103.3 136.72 34.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -88.12 -34.18 17.98 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 116.434 2.013 . . . . 0.0 116.434 -173.605 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HD3' ' HD2' ' A' ' 13' ' ' LYS . 1.6 tptp -132.39 100.12 4.89 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 115.743 -2.383 . . . . 0.0 111.733 172.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 24' ' ' LEU . 21.8 t -109.54 161.54 7.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-O 122.873 1.32 . . . . 0.0 112.045 -174.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -124.03 122.0 36.73 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.482 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.734 ' NE2' ' CZ ' ' A' ' 77' ' ' PHE . 3.3 pt20 -127.61 142.61 51.31 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.44 -21.03 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 122.146 -0.346 . . . . 0.0 111.843 -173.74 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -93.25 -53.16 4.22 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.221 -1.549 . . . . 0.0 110.686 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.62 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -151.56 169.2 22.68 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.549 0.69 . . . . 0.0 110.587 -174.061 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.94 135.51 47.25 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 101.465 -3.532 . . . . 0.0 101.465 177.1 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.7 166.1 35.94 Favored Glycine 0 C--N 1.295 -1.727 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -176.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.58 138.71 33.25 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.283 -1.716 . . . . 0.0 107.208 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.013 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.38 134.42 51.21 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.127 -174.215 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-85 -115.85 136.27 53.2 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.38 139.33 51.01 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.451 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.732 ' SD ' HG12 ' A' ' 8' ' ' VAL . 6.2 ttt -136.95 150.62 48.28 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.59 -57.75 0.93 Allowed 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.37 0.605 . . . . 0.0 110.235 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.6 tp10 -87.23 -12.43 46.77 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.581 ' NH2' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -163.31 166.39 23.11 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.026 -2.296 . . . . 0.0 113.046 -179.307 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.615 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 mm -109.87 131.31 61.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.07 148.23 43.85 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.79 -1.194 . . . . 0.0 110.458 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.872 ' N ' HG22 ' A' ' 43' ' ' ILE . 24.7 t90 -125.26 136.54 53.63 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB1' ' C ' ' A' ' 40' ' ' ARG . . . -152.52 165.24 17.97 Favored Pre-proline 0 C--N 1.298 -1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 111.72 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.4 Cg_endo -106.16 -158.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 124.04 1.547 . . . . 0.0 108.772 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -127.85 83.5 2.17 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.734 -1.229 . . . . 0.0 110.239 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.44 -143.36 3.64 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.28 40.98 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.133 -1.216 . . . . 0.0 108.361 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.35 132.25 3.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.573 ' C ' ' HB1' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -119.25 -99.82 0.44 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 119.236 -2.165 . . . . 0.0 109.46 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 23.0 m-85 -41.52 93.94 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 CA-C-O 121.988 0.899 . . . . 0.0 110.991 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -87.15 -27.13 23.24 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.872 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -137.82 161.4 33.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-O 121.855 0.836 . . . . 0.0 111.285 -178.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 24.2 p -168.69 102.52 0.4 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.668 ' NE2' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.37 120.04 41.31 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.164 -0.96 . . . . 0.0 108.71 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 2.4 mtt -69.12 115.13 8.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.685 0.755 . . . . 0.0 110.302 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.895 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.5 m-30 -40.62 -43.63 1.95 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.673 -0.642 . . . . 0.0 110.733 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.4 -37.14 77.38 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.895 -1.753 . . . . 0.0 108.159 177.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 2.2 m-20 -65.49 -3.32 4.24 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.478 -1.237 . . . . 0.0 109.944 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.974 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -139.09 138.25 41.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.5 -0.75 . . . . 0.0 109.49 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -147.07 103.89 3.64 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 116.638 -2.025 . . . . 0.0 112.907 178.265 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.649 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 6.5 t 173.17 132.0 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HG2' HD22 ' A' ' 100' ' ' LEU . 27.9 mp0 -143.84 123.5 13.31 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.151 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 117.93 26.77 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CG2' ' OE1' ' A' ' 97' ' ' GLN . 14.7 mm -108.96 103.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 120.911 -1.118 . . . . 0.0 109.318 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.722 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -117.16 39.61 0.28 Allowed Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 56' ' ' SER . 6.1 Cg_endo -128.76 33.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 116.198 -2.068 . . . . 0.0 112.275 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 59' ' ' GLY . 2.3 pp20? -69.75 -43.4 72.32 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.389 -1.444 . . . . 0.0 108.609 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 58' ' ' GLU . . . -143.48 56.5 0.56 Allowed Glycine 0 C--N 1.299 -1.482 0 N-CA-C 105.371 -3.092 . . . . 0.0 105.371 176.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -116.68 -168.18 1.41 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.615 1.197 . . . . 0.0 114.034 -175.164 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.68 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -38.19 -72.94 0.05 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.471 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.947 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -167.4 46.39 0.05 Allowed 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.655 -179.391 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.039 HD13 ' C ' ' A' ' 89' ' ' ARG 0.334 0.0 OUTLIER 79.46 83.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.702 1.715 . . . . 0.0 112.255 179.911 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 12.1 pt20 -123.76 132.52 53.82 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 113.948 -1.478 . . . . 0.0 107.364 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.855 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -130.01 163.8 25.68 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.337 -1.477 . . . . 0.0 111.389 -178.753 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG2' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -148.03 125.51 11.68 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.675 0.75 . . . . 0.0 110.009 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.974 HD21 ' HB ' ' A' ' 50' ' ' ILE . 3.9 tt -130.61 154.84 47.45 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.066 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -127.66 157.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 117.611 -1.635 . . . . 0.0 111.623 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -88.41 147.31 24.77 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.579 -176.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.506 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 61.0 m-70 -46.86 -30.96 2.76 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.77 -154.42 0.08 Allowed 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.574 -1.194 . . . . 0.0 107.952 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.41 52.14 0.66 Allowed Glycine 0 C--N 1.298 -1.555 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.61 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 5.2 m-20 -128.23 130.71 48.37 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.066 HG23 HG22 ' A' ' 68' ' ' VAL . 3.0 m -108.02 164.53 12.2 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 29.3 m -130.69 109.98 11.03 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 2.0 m-20 -109.83 138.29 46.4 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.003 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.99 144.47 32.33 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.94 -179.326 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 35.4 t-80 -144.98 156.87 44.2 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.67 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.792 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -145.97 145.64 30.72 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.61 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . 35.8 t -177.22 142.03 0.34 Allowed 'General case' 0 C--O 1.215 -0.739 0 O-C-N 119.865 -1.772 . . . . 0.0 107.624 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.735 ' CB ' HG23 ' A' ' 84' ' ' THR . 5.5 m120 -150.49 177.51 9.94 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.569 -1.332 . . . . 0.0 109.512 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.445 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 35.5 tp10 -46.86 -38.34 10.21 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.28 17.9 0.84 Allowed 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.574 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -112.46 21.13 16.01 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.368 -1.458 . . . . 0.0 109.135 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -94.24 64.46 3.22 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.907 -1.121 . . . . 0.0 108.295 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 87' ' ' LYS . 10.5 m -153.09 -141.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.388 -1.445 . . . . 0.0 112.518 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -34.57 -45.73 0.25 Allowed 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.954 -0.466 . . . . 0.0 110.348 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -45.28 -72.63 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.821 1.296 . . . . 0.0 108.957 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 1.039 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -63.63 -54.94 28.0 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -52.07 -12.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.248 -0.908 . . . . 0.0 110.514 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.027 ' O ' HD12 ' A' ' 95' ' ' LEU . . . -96.65 -34.81 11.25 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.793 -1.192 . . . . 0.0 109.709 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.973 HG11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.47 -40.12 77.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.035 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.835 ' HB2' HD12 ' A' ' 63' ' ' ILE . 4.6 ttpt -63.41 -60.83 2.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.523 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 44.8 t0 -43.01 -23.59 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.027 HD12 ' O ' ' A' ' 91' ' ' ALA . 1.2 mt -89.38 -43.61 10.78 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.031 -1.043 . . . . 0.0 108.225 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -41.05 -59.3 1.51 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.07 0.938 . . . . 0.0 109.889 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.665 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.5 -0.68 5.31 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 110.076 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.56 -39.11 13.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.895 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.13 -24.03 30.43 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.159 -0.963 . . . . 0.0 108.924 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 ' CE2' ' A' ' 103' ' ' PHE . 13.7 mt -44.75 -52.25 19.08 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 34.8 Cg_exo -46.8 -39.23 23.93 Favored 'Trans proline' 0 C--N 1.297 -2.144 0 O-C-N 124.33 1.7 . . . . 0.0 110.867 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -49.4 -41.78 40.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.598 -0.689 . . . . 0.0 112.554 -178.193 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -113.5 1.82 15.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.755 -1.216 . . . . 0.0 110.273 -177.35 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.578 ' CD ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -160.0 120.52 3.01 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.14 -0.975 . . . . 0.0 109.636 179.334 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 101' ' ' PRO . 1.3 ptt180 -160.25 -49.54 0.05 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.514 -0.741 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -111.58 -79.69 0.58 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.243 -0.911 . . . . 0.0 109.539 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.03 33.14 0.34 Allowed 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.231 -0.918 . . . . 0.0 109.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.364 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.428 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.35 0.595 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.34 -163.68 1.08 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.267 -0.895 . . . . 0.0 109.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -62.03 -171.14 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.34 -0.85 . . . . 0.0 109.304 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -43.66 142.51 1.21 Allowed 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.371 -0.831 . . . . 0.0 109.499 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -113.42 -149.01 0.44 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.23 -0.919 . . . . 0.0 109.571 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.83 163.86 18.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -119.86 113.07 20.03 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m -98.63 154.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 120.331 -1.481 . . . . 0.0 108.969 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.823 HD21 ' CD1' ' A' ' 95' ' ' LEU . 24.2 tp -98.67 -39.09 8.85 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.937 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 HG13 ' A' ' 12' ' ' VAL . 5.8 tt -168.19 152.41 6.17 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.445 -2.034 . . . . 0.0 110.423 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.734 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -127.4 137.06 58.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.3 -0.875 . . . . 0.0 109.099 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.968 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -122.68 96.87 4.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 122.303 1.049 . . . . 0.0 109.082 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.72 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.79 -18.94 9.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.016 0.912 . . . . 0.0 110.262 179.471 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.4 tptt -113.87 116.73 29.76 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.091 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.33 146.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 118.131 -1.427 . . . . 0.0 109.215 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.622 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -122.08 139.97 53.09 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.686 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 6.8 pt20 -145.14 137.29 25.8 Favored 'General case' 0 C--N 1.279 -2.474 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -36.72 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.848 -0.532 . . . . 0.0 110.923 -174.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 17' ' ' GLN . 10.2 ptmt -81.5 -58.42 3.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.65 -1.281 . . . . 0.0 110.518 178.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.686 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.1 169.1 22.66 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 0.0 110.815 -174.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.622 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -105.84 129.85 53.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 101.451 -3.537 . . . . 0.0 101.451 176.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.05 166.29 36.25 Favored Glycine 0 C--N 1.298 -1.58 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.55 133.17 34.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 123.292 1.52 . . . . 0.0 110.451 -177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -107.86 132.61 53.27 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 113.113 -1.858 . . . . 0.0 109.547 -175.351 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CE1' HG13 ' A' ' 11' ' ' ILE . 13.6 m-85 -111.25 133.34 53.67 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -112.84 133.62 54.74 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.755 -1.841 . . . . 0.0 108.379 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.672 ' CE ' HG12 ' A' ' 8' ' ' VAL . 5.0 ttm -120.41 146.44 46.2 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.97 -58.21 2.91 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.182 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 4.0 tt0 -87.19 -2.11 58.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.456 -0.777 . . . . 0.0 112.948 -175.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.595 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -161.36 165.54 28.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.146 -2.221 . . . . 0.0 112.557 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.818 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -109.07 141.13 25.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -130.43 144.22 51.26 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.953 -1.092 . . . . 0.0 110.995 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.869 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 13.0 t90 -121.56 142.39 50.13 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.236 -0.985 . . . . 0.0 110.746 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.87 116.67 3.29 Favored Pre-proline 0 C--N 1.298 -1.648 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.419 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.658 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.1 Cg_endo -115.8 -152.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.921 1.485 . . . . 0.0 109.043 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.26 39.78 0.96 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.091 -1.005 . . . . 0.0 109.209 179.377 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . -64.27 -121.08 0.01 OUTLIER Glycine 0 C--O 1.215 -1.058 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 17.9 ptpt -152.18 51.16 0.78 Allowed 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.086 -1.244 . . . . 0.0 110.305 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.499 ' OD1' ' NH1' ' A' ' 40' ' ' ARG . 64.6 t0 -160.93 -121.95 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.521 ' NH1' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -138.74 -50.99 0.55 Allowed 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.4 154.51 20.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.681 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -128.62 -16.37 4.29 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.07 -1.019 . . . . 0.0 110.391 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.869 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.8 156.16 6.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 C-N-CA 118.789 -1.164 . . . . 0.0 111.791 -179.549 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 62.5 m -164.18 101.48 0.86 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.508 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.818 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -110.19 115.98 30.7 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 121.17 -0.957 . . . . 0.0 108.88 178.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.595 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -69.01 118.11 11.51 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.874 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.3 m-30 -41.3 -44.67 2.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.817 -0.552 . . . . 0.0 109.712 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.86 76.42 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 119.712 -1.868 . . . . 0.0 108.127 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 22.7 m-20 -68.29 -3.81 12.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.996 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.089 HD13 ' CD2' ' A' ' 67' ' ' LEU . 2.7 pp -144.66 142.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.461 -0.774 . . . . 0.0 109.217 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HD2' ' C ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -143.27 103.78 4.18 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 119.112 -2.243 . . . . 0.0 112.299 178.541 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.903 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.08 134.41 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.987 ' CG ' HD11 ' A' ' 100' ' ' LEU . 3.2 mm-40 -143.58 122.7 12.9 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 117.823 -1.551 . . . . 0.0 110.963 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -127.68 113.23 15.77 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.301 -179.202 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.603 HG22 ' HB3' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -147.84 100.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 120.623 -1.298 . . . . 0.0 110.363 179.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.653 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.0 t -120.87 25.27 0.11 Allowed Pre-proline 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.75 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 1.4 Cg_endo -68.56 55.48 0.86 Allowed 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 115.831 -2.313 . . . . 0.0 112.442 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' SER . 2.2 tp10 -105.41 -25.15 12.48 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 177.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 27.9 1.95 Allowed Glycine 0 CA--C 1.534 1.234 0 N-CA-C 106.141 -2.783 . . . . 0.0 106.141 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 56' ' ' SER . 19.7 mmtt -93.89 -168.65 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 122.185 0.993 . . . . 0.0 112.495 -175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' C ' ' CG ' ' A' ' 62' ' ' LYS . . . -45.11 -70.16 0.11 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.754 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.08 54.21 0.03 OUTLIER 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.181 178.6 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.857 HD13 ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 83.65 71.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-O 123.649 1.69 . . . . 0.0 113.407 177.584 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -121.45 133.72 55.07 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.383 178.576 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.896 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.49 165.62 14.71 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.939 -1.101 . . . . 0.0 110.124 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -140.87 136.9 32.8 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.904 0.859 . . . . 0.0 110.694 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.089 ' CD2' HD13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -140.62 148.7 41.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.2 t -126.7 157.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 123.336 1.541 . . . . 0.0 110.94 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -92.11 144.1 25.77 Favored 'General case' 0 C--N 1.277 -2.554 0 CA-C-N 113.549 -1.66 . . . . 0.0 109.046 -177.182 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.7 p80 -46.66 -30.48 2.36 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.42 -153.38 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.95 53.75 0.57 Allowed Glycine 0 C--N 1.292 -1.865 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.629 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 25.8 m-20 -129.42 131.64 46.81 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.086 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.04 165.12 11.59 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.5 m -140.82 105.86 4.98 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 3.1 m-20 -109.17 144.04 37.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -147.58 146.43 29.39 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.967 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.686 ' O ' HG13 ' A' ' 15' ' ' VAL . 60.1 t-80 -136.6 157.91 45.68 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.448 1.118 . . . . 0.0 110.911 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.968 ' HE2' HG21 ' A' ' 12' ' ' VAL . 54.4 m-85 -126.6 135.11 50.8 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.871 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 4.5 t -178.16 48.21 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 O-C-N 118.459 -2.65 . . . . 0.0 108.993 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.847 ' OD1' HG21 ' A' ' 84' ' ' THR . 0.3 OUTLIER -59.86 -139.84 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.342 -0.848 . . . . 0.0 109.13 -178.108 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 81' ' ' ASN . 1.7 pm0 -42.88 -85.95 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -136.93 41.95 2.47 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.847 HG21 ' OD1' ' A' ' 81' ' ' ASN . 8.8 t -87.22 -17.55 32.35 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.096 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.871 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -61.08 81.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 122.768 1.27 . . . . 0.0 108.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 84' ' ' THR . 2.3 t -150.55 -132.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.754 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -59.93 -45.51 92.36 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 111.057 -179.186 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 84' ' ' THR . 0.5 OUTLIER -39.3 -73.11 0.05 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 122.835 1.302 . . . . 0.0 110.065 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.682 ' HG3' HD11 ' A' ' 63' ' ' ILE . 7.7 mmt180 -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 25.8 t0 -38.51 -55.15 1.44 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -62.8 -35.92 81.44 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.442 -0.786 . . . . 0.0 110.319 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 15.0 t -52.43 -61.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.679 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 12.6 tttp -55.18 -53.2 59.0 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.677 ' C ' HD23 ' A' ' 95' ' ' LEU . 4.1 t70 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.843 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -92.13 -44.72 8.65 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 120.7 -1.25 . . . . 0.0 108.315 178.295 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 26' ' ' LEU . 4.4 mt -36.42 -62.27 0.47 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 122.124 0.964 . . . . 0.0 110.075 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.679 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.88 0.3 0.89 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.802 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.61 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -95.08 -39.43 10.14 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.857 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -79.85 -31.95 40.48 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.393 -0.817 . . . . 0.0 109.446 179.242 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.987 HD11 ' CG ' ' A' ' 53' ' ' GLN . 1.1 mt -41.47 -39.46 2.31 Favored Pre-proline 0 C--N 1.304 -1.377 0 O-C-N 121.63 -0.669 . . . . 0.0 109.421 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 50.1 Cg_exo -66.93 0.13 4.07 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 O-C-N 124.663 1.875 . . . . 0.0 112.365 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.18 -45.29 8.73 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.936 -1.103 . . . . 0.0 111.618 -178.25 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.744 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -99.92 -3.84 31.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.329 -0.857 . . . . 0.0 110.251 -176.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.918 ' CD ' HD22 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -93.34 29.11 2.01 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.233 -0.917 . . . . 0.0 109.471 179.299 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 104' ' ' LYS . 1.5 mmm180 -61.22 -123.6 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.734 -0.604 . . . . 0.0 109.423 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -40.63 0.4 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.732 -1.23 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.66 -45.89 13.94 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 109.29 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.427 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.8 97.42 3.25 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.231 -0.918 . . . . 0.0 109.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.59 -84.5 0.35 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.226 -0.921 . . . . 0.0 109.511 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 t -136.21 -72.37 0.45 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.258 -0.901 . . . . 0.0 109.467 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -143.97 -98.82 0.11 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.178 -0.951 . . . . 0.0 109.557 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 1.9 pm0 -68.25 162.72 24.43 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.038 -1.039 . . . . 0.0 110.202 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 mm-40 -120.64 112.55 19.04 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -98.88 152.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 O-C-N 120.191 -1.568 . . . . 0.0 108.7 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.036 ' CD2' HD12 ' A' ' 95' ' ' LEU . 17.1 tp -100.57 -30.85 11.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 26' ' ' LEU . 39.5 tp -174.52 152.11 1.64 Allowed 'General case' 0 C--O 1.214 -0.78 0 O-C-N 119.11 -2.244 . . . . 0.0 111.571 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.628 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 146.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.805 0.812 . . . . 0.0 111.174 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -124.38 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.45 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.856 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -60.01 -81.52 0.02 OUTLIER 'General case' 0 C--O 1.183 -2.42 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.518 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.9 104.82 14.38 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 118.524 -2.61 . . . . 0.0 115.466 -172.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.793 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.6 t -106.57 164.8 4.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.129 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -114.86 142.86 45.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.9 pt20 -143.66 147.77 34.8 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -36.5 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -101.85 -52.54 3.16 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.095 -1.628 . . . . 0.0 111.575 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.627 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.38 169.24 22.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.536 0.684 . . . . 0.0 111.147 -172.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.4 t70 -105.24 134.23 48.69 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 100.481 -3.896 . . . . 0.0 100.481 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 33' ' ' TRP . . . -161.51 166.53 36.0 Favored Glycine 0 C--N 1.291 -1.964 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.856 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.69 141.6 32.33 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.065 -1.844 . . . . 0.0 108.321 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.007 HD11 ' CG ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -108.9 125.23 51.79 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.668 -175.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.9 m-85 -111.37 135.86 51.33 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.92 139.35 51.27 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 1.2 ttp -138.91 146.68 41.38 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.62 -57.66 0.94 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.772 -0.58 . . . . 0.0 110.605 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.547 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.0 tt0 -86.63 -11.98 49.83 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.061 -1.056 . . . . 0.0 113.381 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -163.44 165.04 24.26 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 119.235 -2.166 . . . . 0.0 112.408 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.702 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -110.86 128.93 66.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.628 ' HB1' ' CD1' ' A' ' 41' ' ' PHE . . . -112.96 146.75 38.47 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.021 ' HB3' HG23 ' A' ' 43' ' ' ILE . 28.5 t90 -131.51 138.24 48.86 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.083 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -151.85 148.72 22.17 Favored Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.294 -0.878 . . . . 0.0 110.806 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.546 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo -105.85 -167.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.651 1.343 . . . . 0.0 109.401 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 4.4 pt-20 -78.47 97.09 5.57 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.039 -1.038 . . . . 0.0 109.778 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.13 162.98 33.58 Favored Glycine 0 C--N 1.306 -1.118 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -45.91 -40.53 10.26 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.199 -1.177 . . . . 0.0 109.17 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.65 149.07 44.19 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -102.54 -2.75 27.95 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 121.41 -0.806 . . . . 0.0 109.515 179.481 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.083 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 48.2 m-85 -142.28 129.86 21.42 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.63 0.728 . . . . 0.0 110.798 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 1.0 HG23 HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -104.62 -29.82 10.38 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.293 HD11 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -149.14 157.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.751 0.786 . . . . 0.0 110.032 178.611 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.558 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -155.88 113.75 3.34 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 1.293 ' CE1' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.76 123.88 50.3 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.9 -1.125 . . . . 0.0 110.549 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -68.01 112.87 5.25 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.117 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.2 m-30 -40.16 -39.97 1.01 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.259 -0.9 . . . . 0.0 110.856 -177.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.33 -36.5 77.0 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 120.079 -1.638 . . . . 0.0 108.19 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 46' ' ' MET . 8.5 m-20 -63.77 -3.22 2.21 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.719 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.984 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.2 pt -139.11 135.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.512 -0.742 . . . . 0.0 109.172 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -138.63 103.49 4.87 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 119.732 -1.855 . . . . 0.0 112.032 178.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.83 130.23 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 176.104 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.828 ' NE2' HD22 ' A' ' 100' ' ' LEU . 11.4 mm-40 -143.99 120.94 11.34 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 117.048 -1.861 . . . . 0.0 112.056 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 1.025 ' O ' HD13 ' A' ' 55' ' ' ILE . 2.1 tttt -134.03 112.31 11.09 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 54' ' ' LYS . 2.4 mm -141.86 102.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.978 -1.076 . . . . 0.0 109.628 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.637 ' N ' ' HD3' ' A' ' 57' ' ' PRO . 7.7 p -119.29 37.6 0.27 Allowed Pre-proline 0 C--N 1.297 -1.711 0 O-C-N 121.475 -0.766 . . . . 0.0 110.535 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.832 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 5.9 Cg_exo -79.52 53.4 4.71 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 114.876 -2.95 . . . . 0.0 111.526 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -107.11 -26.8 10.96 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.55 26.03 1.97 Allowed Glycine 0 CA--C 1.538 1.515 0 N-CA-C 107.031 -2.428 . . . . 0.0 107.031 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.7 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -84.81 -170.15 2.98 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 122.526 1.155 . . . . 0.0 112.912 -176.19 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.1 -65.0 0.72 Allowed 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.435 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.942 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.17 50.42 0.24 Allowed 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 118.174 -1.41 . . . . 0.0 112.961 -179.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' O ' ' A' ' 62' ' ' LYS 0.306 0.0 OUTLIER 77.03 84.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 123.19 1.472 . . . . 0.0 111.012 179.772 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -127.82 132.54 49.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.503 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.949 ' HB2' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -125.94 162.04 26.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 109.717 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' H ' HD13 ' A' ' 55' ' ' ILE . 2.5 tt0 -149.86 128.49 12.36 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.348 -0.845 . . . . 0.0 110.671 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.984 HD21 ' HB ' ' A' ' 50' ' ' ILE . 2.2 tt -136.09 153.1 51.42 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.973 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -126.82 158.06 37.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-O 123.354 1.55 . . . . 0.0 111.776 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -87.74 144.73 26.47 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.113 -177.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.7 p-80 -46.46 -31.27 2.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -77.09 -154.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.85 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 51.19 0.72 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.562 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.3 t0 -128.6 129.38 45.84 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.973 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.49 163.92 12.8 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.46 HG21 ' CE1' ' A' ' 45' ' ' HIS . 3.9 m -135.1 106.0 6.58 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 5.2 m-20 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.007 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.66 143.17 33.47 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 117.895 -1.522 . . . . 0.0 110.626 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.715 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 66.7 t-80 -145.55 145.11 30.89 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.436 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.727 ' CD2' HG22 ' A' ' 15' ' ' VAL . 13.1 m-85 -112.63 139.89 47.85 Favored 'General case' 0 C--N 1.277 -2.584 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.65 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 8.7 t -176.75 118.15 0.12 Allowed 'General case' 0 C--N 1.311 -1.108 0 O-C-N 118.967 -2.333 . . . . 0.0 110.89 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.595 ' HB2' HG23 ' A' ' 84' ' ' THR . 9.8 m120 -150.72 -167.06 2.71 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -48.82 -42.51 36.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.811 -1.181 . . . . 0.0 108.43 179.206 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.1 m -151.83 32.04 0.56 Allowed 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.378 -0.826 . . . . 0.0 111.437 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 81' ' ' ASN . 40.0 p -89.27 -31.37 17.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.227 -1.546 . . . . 0.0 109.256 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -77.69 79.45 4.17 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.6 1.19 . . . . 0.0 110.642 -177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -150.63 -148.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.284 -2.26 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.055 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -49.83 -28.09 5.94 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.401 -0.812 . . . . 0.0 110.408 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -56.51 -72.05 0.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.907 ' C ' HD13 ' A' ' 63' ' ' ILE . 3.3 mmt180 -56.59 -37.91 71.27 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -58.57 -17.84 24.92 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.053 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 88' ' ' GLU . . . -84.46 -39.75 18.55 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 176.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 10' ' ' LEU . 48.9 t -59.12 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.615 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 2.6 ttpt -44.15 -37.19 2.98 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.44 -0.787 . . . . 0.0 108.939 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' A' ' 91' ' ' ALA . 2.5 m-20 -53.96 -30.64 47.66 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.036 HD12 ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? -92.81 -41.87 9.86 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.165 -0.959 . . . . 0.0 109.585 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 26' ' ' LEU . 11.7 mt -44.45 -67.98 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.235 -0.916 . . . . 0.0 112.056 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.548 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.12 -1.31 0.3 Allowed 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.482 -1.387 . . . . 0.0 110.538 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 95' ' ' LEU . 4.2 tt0 -93.45 -36.43 12.47 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.044 -1.035 . . . . 0.0 109.663 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -85.53 -25.08 27.0 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 120.799 -1.188 . . . . 0.0 110.011 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.828 HD22 ' NE2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -50.09 -33.66 8.34 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 120.832 -1.168 . . . . 0.0 108.558 -178.388 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -73.23 -5.43 17.15 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.251 1.658 . . . . 0.0 111.203 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 3.4 tttp -80.66 -42.67 21.68 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 111.683 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -108.01 5.5 26.21 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 0.0 110.298 -177.218 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HD2' ' O ' ' A' ' 103' ' ' PHE . 13.8 tptt -155.86 105.73 2.4 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.19 -0.944 . . . . 0.0 109.719 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 106' ' ' LYS . 10.1 ptt180 -137.11 -46.7 0.57 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.258 -0.901 . . . . 0.0 108.992 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 105' ' ' ARG . 22.7 tttt -86.74 113.8 22.89 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.306 -0.871 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.99 111.86 7.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.247 -0.908 . . . . 0.0 109.459 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 108' ' ' ASN . 4.1 p-10 . . . . . 0 C--N 1.305 -1.327 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.396 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.84 -71.81 0.13 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.214 -0.929 . . . . 0.0 109.416 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' SER . 1.5 p -95.07 -99.05 0.16 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.296 -0.878 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -52.84 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -101.21 -68.65 0.81 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.214 -0.928 . . . . 0.0 109.738 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.88 158.92 23.89 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.88 109.79 15.97 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.005 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.89 154.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 120.43 -1.419 . . . . 0.0 109.403 -177.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.0 tp -98.82 -27.17 14.05 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.629 -177.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 37.2 tp -173.5 160.61 3.89 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 119.252 -2.155 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.18 133.51 34.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.78 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -116.64 96.5 4.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.78 -1.2 . . . . 0.0 109.554 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.761 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 2.0 mptt -50.18 -19.63 0.82 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 81' ' ' ASN . 1.4 tptp -113.14 110.46 20.46 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.379 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.993 HG21 ' HB2' ' A' ' 24' ' ' LEU . 50.8 t -150.56 144.7 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.34 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.562 175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -125.67 142.83 51.31 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.73 ' NE2' ' CE2' ' A' ' 33' ' ' TRP . 14.9 pt20 -140.41 136.22 32.85 Favored 'General case' 0 C--N 1.278 -2.513 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -36.17 -22.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.961 -0.462 . . . . 0.0 111.618 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptmm? -81.67 -53.17 6.45 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.336 -1.477 . . . . 0.0 109.882 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 8.2 tp60 -151.45 168.48 24.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.967 -173.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.726 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -105.63 133.76 49.84 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 101.365 -3.569 . . . . 0.0 101.365 176.295 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.43 166.04 36.38 Favored Glycine 0 C--N 1.301 -1.402 0 C-N-CA 120.172 -1.013 . . . . 0.0 110.753 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -85.4 133.6 34.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.519 1.152 . . . . 0.0 109.178 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -107.99 141.31 39.84 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.179 -175.078 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 11' ' ' ILE . 11.7 m-85 -116.47 135.91 53.43 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.768 HD12 HD11 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -112.37 137.21 50.85 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.472 -1.393 . . . . 0.0 107.374 178.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 1.005 ' SD ' HG12 ' A' ' 8' ' ' VAL . 2.7 ttp -134.18 138.91 45.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.18 -56.0 0.95 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.733 -0.604 . . . . 0.0 110.192 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 1.1 tp10 -87.34 -14.27 41.22 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.383 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -159.08 163.72 36.01 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.299 -2.126 . . . . 0.0 112.422 -178.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.768 HD11 HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -109.85 124.28 66.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.936 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -109.28 153.71 23.49 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.477 -0.764 . . . . 0.0 109.688 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.821 ' CE3' HG21 ' A' ' 42' ' ' THR . 22.7 t90 -132.28 141.13 48.87 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.367 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 40' ' ' ARG . . . -151.33 117.19 3.21 Favored Pre-proline 0 C--N 1.295 -1.795 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.023 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.8 Cg_endo -86.35 -175.55 1.79 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.979 1.515 . . . . 0.0 109.904 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.9 63.88 7.23 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.162 -0.961 . . . . 0.0 109.414 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.91 -119.86 3.51 Favored Glycine 0 C--N 1.305 -1.141 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.3 mttt -129.88 -51.34 1.14 Allowed 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -1.146 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' PHE . 2.5 p-10 -63.77 77.24 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.307 -0.87 . . . . 0.0 109.693 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.678 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -18.18 -46.26 0.0 OUTLIER 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' ASP . 19.8 m-85 -106.24 146.57 30.16 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.892 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.821 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -120.11 -46.4 2.42 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.781 ' CD1' ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -150.77 177.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.103 -1.039 . . . . 0.0 111.614 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -170.22 112.57 0.44 Allowed 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.502 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.781 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.13 129.16 55.48 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.723 -1.236 . . . . 0.0 110.265 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -74.09 107.83 6.52 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.52 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 99' ' ' LEU . 4.1 m-30 -31.06 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -67.29 -46.05 74.74 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 119.965 -1.709 . . . . 0.0 108.074 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 16.5 m-20 -65.9 -5.62 9.8 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.317 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.903 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -123.1 114.55 42.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HG3' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -141.8 103.55 4.37 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 115.982 -2.287 . . . . 0.0 113.428 178.667 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.687 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 1.6 t 172.73 138.66 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 52' ' ' CYS . 6.4 mp0 -143.27 120.98 11.86 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.663 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 143.66 50.6 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.644 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.1 pp -109.46 102.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 120.912 -1.117 . . . . 0.0 108.451 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.648 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 35.2 m -99.94 -11.06 0.15 Allowed Pre-proline 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 111.856 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.708 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 5.1 Cg_endo -88.23 47.48 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 115.364 -2.624 . . . . 0.0 110.414 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -96.52 -32.6 12.2 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.06 37.39 2.01 Favored Glycine 0 C--O 1.215 -1.046 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 25.8 mmtm -93.9 -137.34 0.2 Allowed 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.33 -2.04 3.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.626 ' CD ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -157.67 -113.87 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -178.643 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -157.39 83.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 120.635 -1.291 . . . . 0.0 113.272 -176.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.604 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 12.1 pt20 -108.56 131.37 54.92 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 118.862 -2.399 . . . . 0.0 107.37 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.866 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -109.03 171.16 7.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.717 -1.239 . . . . 0.0 112.861 -176.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.61 127.15 28.79 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.951 0.881 . . . . 0.0 110.63 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD21 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -129.56 133.66 47.32 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.237 -2.135 . . . . 0.0 105.237 179.287 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.698 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -111.89 157.19 12.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 117.7 -1.6 . . . . 0.0 111.18 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.721 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.59 147.2 27.88 Favored 'General case' 0 C--N 1.28 -2.435 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.765 -178.681 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.0 p80 -49.15 -33.21 11.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.02 -153.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.97 53.32 0.59 Allowed Glycine 0 C--N 1.301 -1.381 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HD23 ' A' ' 69' ' ' LEU . 18.2 m-20 -127.68 139.9 52.42 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.8 160.1 16.24 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 119.66 -0.816 . . . . 0.0 108.968 -178.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 67' ' ' LEU . 86.1 m -133.74 104.46 6.34 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 14.4 m-20 -109.77 146.35 35.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.842 -1.161 . . . . 0.0 108.974 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.999 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.8 141.08 22.31 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.962 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.686 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 26.5 t-80 -130.45 165.22 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.308 1.052 . . . . 0.0 113.163 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.035 ' HB2' HD11 ' A' ' 63' ' ' ILE . 13.7 m-85 -149.36 126.75 11.5 Favored 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.632 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 6.1 t -177.8 59.91 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.779 0 O-C-N 118.309 -2.744 . . . . 0.0 109.216 175.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -61.31 -132.76 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 108.522 -179.387 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -48.07 -79.52 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -138.68 50.71 1.85 Allowed 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 86' ' ' VAL . 80.4 p -88.08 -23.08 23.82 Favored 'General case' 0 C--O 1.208 -1.109 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.462 -176.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -59.91 79.74 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.813 -1.18 . . . . 0.0 109.285 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.623 ' N ' ' O ' ' A' ' 84' ' ' THR . 1.6 t -150.71 -145.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.415 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' H ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -46.2 -40.97 12.11 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.924 -1.11 . . . . 0.0 110.324 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -52.32 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.91 -1.119 . . . . 0.0 110.025 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.599 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.8 mmt180 -61.95 -56.25 21.07 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 6.3 t70 -35.84 -48.14 0.54 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -62.03 -54.04 47.05 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.895 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 39.0 t -38.31 -58.74 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.649 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 27.1 ttpp -59.12 -52.24 66.57 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -47.51 -19.67 0.19 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 5.5 mt -89.04 -45.29 9.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 65' ' ' LEU . 10.8 mt -40.56 -61.12 0.98 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.884 0.849 . . . . 0.0 109.919 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.649 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.4 -0.13 7.67 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.576 -0.703 . . . . 0.0 110.018 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 4.5 tt0 -93.16 -27.79 16.69 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.742 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -92.35 -23.74 19.14 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.802 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.785 HD13 ' C ' ' A' ' 100' ' ' LEU . 2.7 tm? -45.61 -33.93 2.25 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 100' ' ' LEU . 41.2 Cg_exo -68.78 -1.37 7.54 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 124.069 1.563 . . . . 0.0 111.983 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.7 tttm -87.98 -44.22 11.17 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 112.617 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.665 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -105.03 -0.89 26.36 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -176.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.546 ' CE ' ' HG3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.02 -151.9 0.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.557 -0.714 . . . . 0.0 109.731 179.109 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' A' ' 105' ' ' ARG . 1.8 ttt-85 -131.49 104.7 7.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.576 -0.703 . . . . 0.0 109.394 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.4 -71.19 0.47 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.94 -55.93 2.14 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.28 -0.887 . . . . 0.0 109.434 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.305 -1.35 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.426 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.291 0.567 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.48 19.19 1.7 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.204 -0.935 . . . . 0.0 109.438 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' SER . 1.3 p -64.09 -170.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.232 -0.917 . . . . 0.0 109.432 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -49.92 179.03 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.273 -0.892 . . . . 0.0 109.579 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -92.46 -68.53 0.79 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.276 -0.89 . . . . 0.0 109.628 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.35 160.95 28.49 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -120.54 114.38 21.66 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -98.66 154.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 O-C-N 120.035 -1.666 . . . . 0.0 109.353 -176.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 9' ' ' LEU . 20.0 tp -98.74 -32.68 11.26 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.715 -0.794 . . . . 0.0 112.624 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 42.0 tp -175.93 147.21 0.75 Allowed 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.245 -2.159 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.29 141.42 33.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.496 -0.752 . . . . 0.0 109.71 179.253 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.15 117.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 177.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.026 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 16.8 ttmt -58.17 -83.27 0.01 OUTLIER 'General case' 0 C--O 1.186 -2.242 0 C-N-CA 116.729 -1.989 . . . . 0.0 108.482 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' CB ' ' OD1' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -49.77 133.85 21.2 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 119.735 -1.853 . . . . 0.0 111.943 -178.482 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.012 HG21 ' HB2' ' A' ' 24' ' ' LEU . 5.6 t -151.14 150.86 12.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.968 172.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 8.3 tpp180 -122.2 132.89 54.67 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.72 ' NE2' ' CE2' ' A' ' 33' ' ' TRP . 16.3 pt20 -137.03 130.24 31.09 Favored 'General case' 0 C--N 1.275 -2.667 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mttp -36.37 -22.42 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.656 -0.652 . . . . 0.0 111.868 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 13.6 ptmm? -80.66 -53.44 6.53 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.358 -1.464 . . . . 0.0 110.348 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.636 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 40.0 tt0 -152.0 168.29 25.7 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.575 -0.703 . . . . 0.0 110.116 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -106.43 132.01 52.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 101.544 -3.502 . . . . 0.0 101.544 175.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.583 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.81 166.11 36.01 Favored Glycine 0 C--N 1.291 -1.946 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.026 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.48 134.05 34.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.873 1.321 . . . . 0.0 111.539 -176.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.012 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.03 135.35 50.34 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.848 -176.059 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.65 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -115.89 141.79 47.63 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -120.29 138.19 53.83 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 178.23 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.749 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.5 ttp -144.76 144.26 31.09 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.5 -47.19 0.61 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.874 0.845 . . . . 0.0 109.196 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 2.0 tp10 -85.14 -31.45 23.28 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.375 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -162.13 166.49 25.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 119.733 -1.854 . . . . 0.0 113.386 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.608 HG22 ' NE2' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -108.99 131.77 58.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.086 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.688 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -114.92 156.98 24.0 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.081 -1.012 . . . . 0.0 111.369 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.877 ' CE3' HG21 ' A' ' 42' ' ' THR . 15.5 t90 -129.56 137.46 50.76 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.685 -0.635 . . . . 0.0 109.376 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -151.88 148.52 21.8 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 121.397 -0.815 . . . . 0.0 110.835 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -102.34 -157.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.754 1.397 . . . . 0.0 109.638 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 7.3 pt-20 -109.02 87.86 2.59 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.162 -0.961 . . . . 0.0 109.679 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -160.11 -177.04 32.85 Favored Glycine 0 C--N 1.306 -1.117 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.6 mttt -46.44 -71.6 0.07 Allowed 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.201 -1.176 . . . . 0.0 108.977 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -62.03 141.79 57.88 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 1.1 ptt180 -101.56 -89.8 0.35 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.922 0.867 . . . . 0.0 109.558 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.514 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 33.0 m-85 -47.12 118.97 2.33 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.039 0.924 . . . . 0.0 111.172 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.889 HG23 HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -96.08 -39.26 9.82 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.889 HG23 HG23 ' A' ' 42' ' ' THR . 1.1 pt -151.1 175.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.778 0.799 . . . . 0.0 111.283 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 p -159.61 128.21 5.07 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.776 ' ND1' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -109.13 104.75 13.99 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.68 -1.263 . . . . 0.0 108.976 -179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.662 ' N ' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.52 103.53 0.86 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.076 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.743 ' OH ' HD22 ' A' ' 96' ' ' LEU . 3.8 m-30 -32.29 -39.21 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 122.085 -0.384 . . . . 0.0 111.899 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -68.39 -46.15 70.79 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 120.014 -1.679 . . . . 0.0 108.479 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.846 ' C ' HD13 ' A' ' 50' ' ' ILE . 14.7 m-20 -65.73 -5.68 9.38 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.928 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -122.06 116.63 49.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.339 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' CE ' ' HG2' ' A' ' 104' ' ' LYS . 5.9 tptp -136.66 102.93 5.06 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 115.708 -2.397 . . . . 0.0 113.259 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.674 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 5.4 t 172.18 131.33 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 100' ' ' LEU . 19.0 mm-40 -142.95 127.69 18.16 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 116.599 -2.04 . . . . 0.0 112.689 -176.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 112.77 8.7 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.236 -1.802 . . . . 0.0 106.374 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.594 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -144.57 102.61 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.942 -1.099 . . . . 0.0 109.455 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.64 ' N ' ' HD3' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -119.62 38.79 0.31 Allowed Pre-proline 0 C--N 1.297 -1.713 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.912 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.756 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 4.3 Cg_exo -82.9 45.84 2.0 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 115.04 -2.84 . . . . 0.0 111.83 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -29.6 17.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' C ' ' HD2' ' A' ' 60' ' ' LYS . . . -143.36 46.52 0.84 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 106.152 -2.779 . . . . 0.0 106.152 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.756 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -107.67 -170.26 1.66 Allowed 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.728 1.252 . . . . 0.0 112.867 -175.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.743 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -44.24 -68.4 0.2 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.433 -1.258 . . . . 0.0 107.781 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.827 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -172.8 55.84 0.02 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.782 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.011 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 0.8 OUTLIER 79.42 80.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 121.708 2.049 . . . . 0.0 113.814 -179.176 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 2.9 pt20 -124.56 130.75 53.02 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.086 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.65 163.93 22.39 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.264 -1.522 . . . . 0.0 111.474 -179.269 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -144.98 129.28 17.77 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.305 -0.872 . . . . 0.0 110.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.928 HD21 ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -134.79 149.45 50.4 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 74' ' ' THR . 2.8 t -122.09 158.04 26.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.593 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.56 146.94 28.05 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.447 -178.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.8 p80 -48.69 -35.07 13.14 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.26 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.229 178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.4 51.97 0.67 Allowed Glycine 0 C--N 1.303 -1.251 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 m-20 -128.18 140.5 51.88 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.287 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.899 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.96 155.88 20.36 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.075 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.776 HG21 ' ND1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -126.78 105.26 8.54 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 178.017 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -111.37 138.63 47.62 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 108.592 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.972 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.11 144.32 29.92 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 118.398 -1.321 . . . . 0.0 110.595 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.723 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 52.7 t-80 -132.13 157.86 43.13 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.422 1.106 . . . . 0.0 109.971 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.886 ' HB2' HG23 ' A' ' 63' ' ' ILE . 67.2 m-85 -117.33 147.43 42.61 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-O 122.115 0.96 . . . . 0.0 111.539 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.539 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 8.4 t -176.5 130.08 0.2 Allowed 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 118.825 -1.15 . . . . 0.0 112.903 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.631 ' CB ' HG23 ' A' ' 84' ' ' THR . 7.4 m-80 -150.7 167.49 27.2 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.355 0.597 . . . . 0.0 109.631 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.9 -26.21 68.68 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.353 -0.842 . . . . 0.0 109.098 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.73 8.64 1.52 Allowed 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.396 -0.921 . . . . 0.0 111.431 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.64 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.37 34.44 5.22 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.313 -1.492 . . . . 0.0 108.03 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 86' ' ' VAL . . . -92.4 50.25 1.59 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.249 -0.907 . . . . 0.0 110.168 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -153.95 -141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 120.993 -1.067 . . . . 0.0 113.168 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 3.7 mptt -43.48 -33.92 1.22 Allowed 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.196 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -36.61 -72.98 0.05 Allowed 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 122.239 1.019 . . . . 0.0 109.878 -178.337 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.683 ' HG2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -81.82 -27.33 33.67 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 1.011 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -49.99 -21.17 1.13 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 176.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -88.47 -46.96 8.7 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 104.298 -2.482 . . . . 0.0 104.298 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.9 t -38.78 -51.43 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.639 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 7.7 tttp -60.39 -56.47 21.11 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 91' ' ' ALA . 11.7 t70 -39.23 -24.3 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.778 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER -89.4 -42.97 11.21 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.628 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.743 HD22 ' OH ' ' A' ' 47' ' ' TYR . 5.5 mt -41.06 -58.98 1.6 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.491 0.662 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.511 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -70.87 -1.43 11.73 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.622 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.96 -28.34 16.49 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.92 -26.06 17.76 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 121.355 -0.841 . . . . 0.0 109.237 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG3' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -42.13 -33.69 0.63 Allowed Pre-proline 0 C--N 1.305 -1.368 0 O-C-N 121.434 -0.791 . . . . 0.0 109.38 -178.076 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.4 Cg_exo -73.72 2.76 5.53 Favored 'Trans proline' 0 C--N 1.301 -1.942 0 O-C-N 124.476 1.777 . . . . 0.0 111.565 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.9 ttmt -89.96 -48.22 7.35 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.448 -0.782 . . . . 0.0 111.646 -177.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.647 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -106.81 -5.38 18.43 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.656 -0.652 . . . . 0.0 109.851 -177.086 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' HG2' ' CE ' ' A' ' 51' ' ' LYS . 1.4 tptp -154.52 105.2 2.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.372 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -150.68 -81.59 0.11 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.354 -0.841 . . . . 0.0 109.402 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.89 -158.17 0.65 Allowed 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.936 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.98 155.38 18.4 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.24 -0.913 . . . . 0.0 109.418 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.305 -1.366 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.401 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' ALA . 2.8 ttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -43.28 115.79 0.82 Allowed 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.466 -0.772 . . . . 0.0 109.761 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -104.55 -90.96 0.38 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.386 -0.822 . . . . 0.0 109.748 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' H ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -42.3 -58.56 2.14 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.339 -0.851 . . . . 0.0 110.111 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -173.35 3.12 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.162 -0.961 . . . . 0.0 109.846 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 5.3 mp0 -115.97 163.19 16.27 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.76 164.73 4.47 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.103 -0.998 . . . . 0.0 110.215 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 p -98.01 154.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.961 ' CD2' HD21 ' A' ' 99' ' ' LEU . 9.2 tp -99.05 -55.38 2.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.681 -0.808 . . . . 0.0 113.117 -175.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 43.9 tp -159.06 149.99 19.98 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 119.501 -1.999 . . . . 0.0 111.792 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.984 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.36 129.86 75.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.024 HG11 ' CG2' ' A' ' 92' ' ' VAL . 3.3 m -127.41 131.98 69.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.957 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -80.83 -81.24 0.13 Allowed 'General case' 0 C--O 1.19 -2.027 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.042 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 115.01 1.21 Allowed 'General case' 0 C--N 1.267 -2.979 0 O-C-N 119.941 -1.724 . . . . 0.0 112.074 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.1 t -142.79 145.8 22.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.605 172.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -124.11 130.73 53.05 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.601 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.8 pt20 -136.95 135.73 37.95 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.5 mttt -36.17 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.817 -0.552 . . . . 0.0 111.727 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 ptpt -83.45 -55.13 4.48 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.288 -1.508 . . . . 0.0 110.406 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 23.3 mm100 -151.38 168.89 23.42 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.816 0.817 . . . . 0.0 111.456 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -105.9 127.77 53.35 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 101.155 -3.646 . . . . 0.0 101.155 176.501 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.815 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.06 166.78 36.47 Favored Glycine 0 C--N 1.297 -1.59 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.957 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 155.29 22.12 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.527 -1.572 . . . . 0.0 111.906 -176.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.029 ' HB2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt -118.09 121.97 41.92 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.214 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CE1' HG13 ' A' ' 11' ' ' ILE . 22.1 m-85 -110.21 124.77 52.19 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.85 HD12 HD11 ' A' ' 31' ' ' ILE . 10.3 tt -112.69 134.18 54.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 119.659 -1.901 . . . . 0.0 110.25 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.54 ' CE ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -109.88 153.39 24.53 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.62 -55.25 1.14 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.629 -0.67 . . . . 0.0 111.685 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -103.29 18.17 22.39 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 120.254 -1.529 . . . . 0.0 112.313 -177.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.7 OUTLIER -163.85 166.86 21.43 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.005 -1.684 . . . . 0.0 112.636 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.85 HD11 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -114.44 146.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -138.31 146.4 42.37 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.574 -1.329 . . . . 0.0 112.254 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.884 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 11.6 t90 -113.64 146.63 39.47 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.923 0.868 . . . . 0.0 110.643 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.63 112.58 2.97 Favored Pre-proline 0 C--N 1.3 -1.574 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.1 Cg_endo -114.0 -153.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.358 0 O-C-N 124.036 1.545 . . . . 0.0 108.71 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -85.62 47.91 1.51 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.955 -1.091 . . . . 0.0 108.797 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.97 -137.61 0.06 OUTLIER Glycine 0 C--N 1.307 -1.054 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.39 43.93 2.73 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.188 -1.183 . . . . 0.0 110.095 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -160.32 -105.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.32 -50.45 0.15 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -100.87 -175.89 3.02 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.236 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.699 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -154.98 -30.64 0.1 Allowed 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.527 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.764 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -145.0 151.06 15.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 120.88 -1.137 . . . . 0.0 110.6 -178.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.2 t -158.93 109.88 2.07 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.325 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.623 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -121.52 117.47 26.89 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 121.251 -0.905 . . . . 0.0 109.339 178.757 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.588 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.3 mtt -61.56 127.67 32.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HE2' HD13 ' A' ' 99' ' ' LEU . 1.7 m-85 -46.07 -46.28 16.72 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.769 -1.207 . . . . 0.0 109.923 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.13 67.58 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.988 -1.695 . . . . 0.0 108.337 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.7 m-20 -65.73 -4.89 7.19 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.687 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.911 ' CG2' HD22 ' A' ' 69' ' ' LEU . 22.1 pt -142.53 136.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HD3' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -132.3 103.47 6.23 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.281 -2.137 . . . . 0.0 111.827 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.745 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 172.82 132.4 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.964 ' CG ' HD13 ' A' ' 100' ' ' LEU . 21.8 mp0 -143.83 131.36 21.11 Favored 'General case' 0 C--N 1.285 -2.215 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.154 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.07 113.25 4.89 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.619 HG22 ' CB ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -140.42 101.66 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 O-C-N 121.096 -1.002 . . . . 0.0 109.326 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.634 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -120.53 29.16 0.15 Allowed Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.433 -0.792 . . . . 0.0 110.605 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.768 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 2.4 Cg_endo -60.54 -8.18 8.49 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 116.361 -1.96 . . . . 0.0 111.978 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -18.78 27.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.762 -1.211 . . . . 0.0 107.802 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.07 24.65 2.39 Favored Glycine 0 CA--C 1.539 1.552 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 7.7 mmmt -92.74 -110.71 0.1 Allowed 'General case' 0 C--N 1.312 -1.05 0 O-C-N 120.671 -1.487 . . . . 0.0 110.433 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' C ' ' HD2' ' A' ' 62' ' ' LYS . . . -117.9 -47.91 2.58 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.099 -1.001 . . . . 0.0 109.016 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 1.257 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.79 25.27 0.01 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.009 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.257 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 112.25 80.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 120.347 1.43 . . . . 0.0 112.698 177.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.559 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 10.3 pt20 -123.91 134.46 53.53 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.883 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.15 167.21 15.72 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.616 -1.303 . . . . 0.0 109.899 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -148.79 137.66 21.44 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 120.862 -1.148 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -137.59 150.7 47.64 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 74' ' ' THR . 2.9 t -126.66 158.78 36.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.127 -1.429 . . . . 0.0 110.81 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.77 140.79 30.06 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.514 -177.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.502 ' C ' ' O ' ' A' ' 69' ' ' LEU . 12.2 p80 -46.27 -31.91 2.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -69.18 -155.3 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.335 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.73 54.8 0.53 Allowed Glycine 0 C--N 1.293 -1.807 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.599 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 33.9 m-20 -135.89 130.56 34.0 Favored 'General case' 0 C--N 1.289 -2.052 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.325 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.978 HG23 HG22 ' A' ' 68' ' ' VAL . 1.3 m -107.15 158.65 16.92 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.444 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -128.87 109.55 11.36 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 179.135 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -108.94 130.44 55.45 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.971 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -136.58 147.51 47.03 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.423 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.821 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.9 t60 -148.91 164.79 33.47 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.89 1.329 . . . . 0.0 111.285 -177.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.787 ' HE1' HG21 ' A' ' 12' ' ' VAL . 65.5 m-85 -127.37 143.14 51.27 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.59 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -168.89 124.38 0.91 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 119.209 -2.182 . . . . 0.0 109.382 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 85' ' ' ALA . 27.2 m120 -150.63 169.98 20.28 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.146 -0.971 . . . . 0.0 109.484 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -48.95 -48.13 43.27 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -150.47 16.56 0.81 Allowed 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.473 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.451 ' OG1' ' CG ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER -103.23 -0.06 30.94 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 120.404 -1.435 . . . . 0.0 109.485 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -91.58 75.44 5.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.053 -1.03 . . . . 0.0 108.726 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 85' ' ' ALA . 15.9 m -153.53 -119.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 O-C-N 121.704 -0.623 . . . . 0.0 110.736 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -37.76 -65.54 0.32 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.48 -0.762 . . . . 0.0 111.477 -179.196 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG3' ' NE ' ' A' ' 89' ' ' ARG . 0.5 OUTLIER -36.97 -72.68 0.06 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.752 0.787 . . . . 0.0 109.42 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 1.006 ' HB2' HG21 ' A' ' 63' ' ' ILE . 5.0 mmt180 -51.79 -38.05 54.0 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -58.88 -17.93 28.5 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -88.86 -39.59 13.72 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.024 ' CG2' HG11 ' A' ' 12' ' ' VAL . 37.8 t -55.39 -67.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.622 ' O ' ' OE1' ' A' ' 97' ' ' GLN . 2.2 tttt -51.37 -38.75 54.92 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 3.4 t70 -52.21 -28.09 17.18 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.512 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.75 HD12 HD21 ' A' ' 9' ' ' LEU . 3.5 mm? -92.56 -48.13 6.77 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.992 -1.068 . . . . 0.0 109.359 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.773 ' HA ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -44.13 -68.42 0.2 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.494 -0.754 . . . . 0.0 112.482 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.622 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -58.36 -2.99 0.23 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.13 -0.981 . . . . 0.0 111.215 -178.637 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HB2' HE22 ' A' ' 97' ' ' GLN . 0.0 OUTLIER -98.44 -30.87 12.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.938 -1.101 . . . . 0.0 108.864 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -88.58 -35.23 17.01 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 67' ' ' LEU . 18.8 mt -51.51 -34.35 13.61 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.64 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -71.81 -1.7 10.31 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.309 1.689 . . . . 0.0 110.744 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 80.2 tttt -91.73 -37.11 13.2 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.279 -0.888 . . . . 0.0 110.819 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.676 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -109.91 0.39 18.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.636 -178.196 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.564 ' CE ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -66.5 -170.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -124.53 133.79 53.2 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.214 -0.929 . . . . 0.0 109.853 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.11 24.98 0.17 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.285 -0.884 . . . . 0.0 109.462 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.61 89.56 5.4 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.223 -0.923 . . . . 0.0 109.443 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.9 -167.96 1.78 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.309 -0.869 . . . . 0.0 109.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 115.04 2.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.263 -0.898 . . . . 0.0 109.434 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -104.76 121.46 43.67 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.237 -0.914 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.77 -76.57 0.34 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.198 -0.939 . . . . 0.0 109.586 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HG3' ' CE ' ' A' ' 27' ' ' MET . 2.5 pm0 -71.76 162.66 29.12 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.209 -0.932 . . . . 0.0 110.1 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.05 113.13 19.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 26' ' ' LEU . 2.5 p -98.74 154.65 3.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 120.127 -1.608 . . . . 0.0 108.911 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.915 HD21 ' CD1' ' A' ' 95' ' ' LEU . 13.6 tp -99.24 -48.53 4.79 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.589 -0.844 . . . . 0.0 113.116 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 10' ' ' LEU . 12.7 tp -158.04 167.6 29.43 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 119.377 -2.077 . . . . 0.0 111.342 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -139.09 137.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -124.29 96.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 122.266 1.031 . . . . 0.0 109.966 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.703 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.95 -18.66 3.67 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.979 0.895 . . . . 0.0 111.113 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.6 tptp -115.18 118.61 33.82 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.638 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.072 HG21 ' HB2' ' A' ' 24' ' ' LEU . 11.5 t -150.37 146.43 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 C-N-CA 117.878 -1.529 . . . . 0.0 108.858 174.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.58 127.49 50.96 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.877 -177.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.742 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 10.1 pt20 -132.8 132.5 42.26 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.26 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.987 -0.446 . . . . 0.0 110.976 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.641 ' HD3' ' NE2' ' A' ' 17' ' ' GLN . 15.5 ptmt -80.12 -54.82 5.41 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.594 -1.316 . . . . 0.0 110.088 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.66 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 16.7 mm-40 -151.37 168.49 24.65 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.744 0.783 . . . . 0.0 110.927 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -106.12 130.54 54.0 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 101.019 -3.697 . . . . 0.0 101.019 176.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.618 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.85 166.05 36.02 Favored Glycine 0 C--N 1.292 -1.909 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 132.56 34.35 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.994 1.378 . . . . 0.0 110.183 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.072 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.27 132.87 53.24 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.178 -176.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD12 ' A' ' 11' ' ' ILE . 9.5 m-85 -109.85 139.19 45.21 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.989 HD12 HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -113.0 133.54 54.91 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 119.807 -1.808 . . . . 0.0 107.58 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.562 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 6.0 ttt -126.03 140.42 52.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -39.89 -58.26 1.42 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.775 0.798 . . . . 0.0 109.057 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tp10 -86.93 -10.03 54.26 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -175.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.64 163.75 36.63 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 119.216 -2.177 . . . . 0.0 112.686 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.989 HD11 HD12 ' A' ' 26' ' ' LEU . 2.0 mm -110.79 136.06 47.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -123.21 147.26 47.07 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 120.971 -1.081 . . . . 0.0 110.728 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.82 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 17.4 t90 -124.98 140.66 52.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.37 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.09 120.98 3.62 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.927 -0.483 . . . . 0.0 109.99 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 3.2 Cg_endo -112.16 -60.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.728 1.383 . . . . 0.0 110.38 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 171.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.386 -0.821 . . . . 0.0 109.805 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 38' ' ' LYS . . . -97.44 -31.16 6.92 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -53.9 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.237 -1.155 . . . . 0.0 109.135 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -77.65 60.74 2.23 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 120.907 -1.12 . . . . 0.0 109.184 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -20.52 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.818 0.818 . . . . 0.0 111.541 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' ARG . 23.5 m-85 -44.94 115.73 0.95 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 121.926 0.87 . . . . 0.0 110.055 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.692 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -116.04 -15.49 11.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.409 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.82 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.25 159.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.112 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 9.5 t -168.07 101.87 0.45 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.287 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.637 ' NE2' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.9 121.89 46.28 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.004 -1.06 . . . . 0.0 109.659 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 50' ' ' ILE . 5.6 mtt -69.91 108.73 4.13 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.011 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.858 ' HA ' HD12 ' A' ' 50' ' ' ILE . 2.1 m-30 -39.48 -46.08 1.64 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.728 -0.608 . . . . 0.0 110.368 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.16 79.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 119.43 -2.043 . . . . 0.0 107.809 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.681 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 5.8 m-20 -48.09 -33.89 8.87 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.067 HG13 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -113.0 160.19 12.65 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.32 -177.496 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -150.19 103.66 3.19 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 119.246 -2.159 . . . . 0.0 113.382 -179.545 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.704 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.12 137.13 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.356 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.9 ' CB ' HD12 ' A' ' 100' ' ' LEU . 3.3 mm-40 -143.61 128.24 18.12 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 117.745 -1.582 . . . . 0.0 111.273 -177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.933 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -131.97 112.94 12.83 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.404 -1.271 . . . . 0.0 107.655 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.933 HD13 ' O ' ' A' ' 54' ' ' LYS . 4.1 mm -142.84 100.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 C-N-CA 118.345 -1.342 . . . . 0.0 110.3 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.675 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -119.68 23.68 0.1 Allowed Pre-proline 0 C--N 1.298 -1.652 0 O-C-N 121.618 -0.676 . . . . 0.0 110.665 178.064 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.836 ' HD2' HG22 ' A' ' 55' ' ' ILE . 1.9 Cg_endo -78.7 55.13 5.39 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 114.541 -3.172 . . . . 0.0 112.27 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.84 -31.88 10.95 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.96 38.01 1.38 Allowed Glycine 0 CA--C 1.534 1.277 0 N-CA-C 106.684 -2.566 . . . . 0.0 106.684 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -102.68 -174.77 2.64 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.334 -1.098 . . . . 0.0 112.638 -176.267 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.619 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -36.75 -69.27 0.12 Allowed 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.838 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 1.076 ' O ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -166.37 34.05 0.04 OUTLIER 'General case' 0 C--O 1.201 -1.497 0 C-N-CA 118.389 -1.324 . . . . 0.0 112.648 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.076 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 103.08 61.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 CA-C-N 120.444 1.474 . . . . 0.0 112.89 177.43 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -108.59 132.46 53.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 119.638 -1.914 . . . . 0.0 111.918 -177.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.859 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -118.19 161.0 20.6 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.887 -1.133 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.63 ' HG3' ' ND2' ' A' ' 76' ' ' ASN . 1.5 tt0 -150.21 132.85 15.82 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-O 121.662 0.744 . . . . 0.0 110.354 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.067 HD21 HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.89 155.35 45.52 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -178.535 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.05 157.7 43.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 123.1 1.428 . . . . 0.0 110.89 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.86 145.55 25.07 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 113.65 -1.614 . . . . 0.0 109.418 -176.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 8.3 p80 -48.92 -27.84 3.39 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.74 -154.3 0.08 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.5 53.16 0.6 Allowed Glycine 0 C--N 1.296 -1.651 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.642 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 4.9 m-20 -129.05 131.26 47.32 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.003 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.69 165.07 11.7 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.029 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.709 ' OG1' HD23 ' A' ' 67' ' ' LEU . 1.9 m -132.32 106.63 8.03 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.63 ' ND2' ' HG3' ' A' ' 66' ' ' GLN . 6.0 m120 -111.59 136.98 50.05 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.795 -1.191 . . . . 0.0 107.847 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.974 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -148.97 147.54 28.72 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 117.695 -1.602 . . . . 0.0 111.312 -179.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.3 t-80 -137.44 163.3 31.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.266 1.031 . . . . 0.0 109.805 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CD2' HG22 ' A' ' 15' ' ' VAL . 6.9 m-85 -136.87 134.56 36.99 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.479 ' HB2' ' HE1' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -177.62 151.59 0.74 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 117.738 -3.101 . . . . 0.0 111.096 175.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.776 ' H ' ' HB2' ' A' ' 85' ' ' ALA . 3.6 m120 -150.89 176.23 11.28 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -81.49 6.28 15.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 108.416 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.88 -32.96 0.16 Allowed 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.327 -0.858 . . . . 0.0 111.589 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.726 HG23 ' OE1' ' A' ' 88' ' ' GLU . 4.9 m -88.84 -31.39 18.32 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.729 -1.232 . . . . 0.0 111.861 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.776 ' HB2' ' H ' ' A' ' 81' ' ' ASN . . . -46.83 77.72 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.282 -0.886 . . . . 0.0 112.081 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.659 ' N ' ' O ' ' A' ' 84' ' ' THR . 1.9 t -152.68 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 121.54 0.686 . . . . 0.0 111.58 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.3 mttt -52.12 -42.98 63.75 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 121.469 -0.769 . . . . 0.0 111.775 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.726 ' OE1' HG23 ' A' ' 84' ' ' THR . 0.9 OUTLIER -38.38 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.638 1.208 . . . . 0.0 110.238 -179.477 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.67 HH21 HG21 ' A' ' 84' ' ' THR . 10.3 mmt180 -56.54 -42.55 78.69 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -58.34 -11.58 2.92 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.969 178.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.637 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.02 -37.61 11.04 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.992 -1.067 . . . . 0.0 108.64 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -65.18 -40.89 90.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 177.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -67.23 -40.48 86.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.453 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.527 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 50.5 t0 -55.57 -22.07 20.23 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.915 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.6 mm? -91.22 -44.95 8.91 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -36.96 -68.94 0.13 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.764 0.792 . . . . 0.0 111.115 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 1.1 pm0 -57.25 -0.81 0.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.695 -0.628 . . . . 0.0 111.636 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.22 -28.89 12.4 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.229 -0.919 . . . . 0.0 108.871 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -87.17 -35.76 18.41 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.34 -0.85 . . . . 0.0 109.116 179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.9 HD12 ' CB ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -43.13 -40.43 5.43 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 42.8 Cg_exo -60.38 -38.06 77.27 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 O-C-N 124.505 1.792 . . . . 0.0 110.454 178.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.1 tttt -48.9 -49.08 41.61 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.419 0.628 . . . . 0.0 111.197 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 1.5 p90 -115.75 -0.13 13.02 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.461 -0.774 . . . . 0.0 109.84 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 100' ' ' LEU . 1.2 mtpm? -149.74 99.01 2.82 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.251 -0.906 . . . . 0.0 109.319 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -114.09 -57.28 2.3 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 134.9 33.49 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.211 -0.931 . . . . 0.0 109.427 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.71 -12.04 46.46 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.254 -0.904 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.304 -1.372 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.393 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.73 -79.81 0.49 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.233 -0.917 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 t -77.94 146.69 35.36 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.223 -0.923 . . . . 0.0 109.438 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' SER . 0.6 OUTLIER -87.16 -35.76 18.42 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.229 -0.919 . . . . 0.0 109.681 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -54.39 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 5.1 mp0 -119.45 156.16 30.7 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -104.55 163.43 12.47 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.609 -1.307 . . . . 0.0 108.065 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.118 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.7 m -98.42 154.68 3.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 120.601 -1.312 . . . . 0.0 109.02 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.54 HD21 HD12 ' A' ' 95' ' ' LEU . 15.0 tp -99.19 -54.21 3.03 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.632 -0.827 . . . . 0.0 112.563 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 163.54 37.89 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 119.517 -1.989 . . . . 0.0 112.173 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.02 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.35 143.07 30.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 121.63 0.728 . . . . 0.0 110.384 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.816 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -123.46 128.66 74.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.703 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.46 -81.63 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.838 0 O-C-N 120.953 -1.092 . . . . 0.0 113.551 -175.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -109.22 104.1 13.19 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 118.884 -2.385 . . . . 0.0 115.086 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 24' ' ' LEU . 93.0 t -106.12 166.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -119.6 137.67 53.71 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.669 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 10.1 pt20 -141.68 148.28 38.84 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.82 -19.97 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.325 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 6.0 ptmm? -101.77 -53.9 2.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.106 -1.621 . . . . 0.0 111.379 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.37 168.89 23.39 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.942 0.877 . . . . 0.0 111.213 -173.365 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.58 134.29 48.94 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 177.197 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 166.12 35.57 Favored Glycine 0 C--N 1.29 -2.021 0 N-CA-C 106.946 -2.462 . . . . 0.0 106.946 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.73 146.56 28.95 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.947 -1.913 . . . . 0.0 108.54 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.059 HD11 ' CG ' ' A' ' 77' ' ' PHE . 1.2 mt -108.71 123.64 49.31 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.684 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 1.02 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 3.5 m-85 -109.89 137.11 48.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 15.7 tp -118.68 136.01 54.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 119.56 -1.962 . . . . 0.0 107.382 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 1.118 ' CE ' HG12 ' A' ' 8' ' ' VAL . 2.5 ttm -119.35 155.62 31.57 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.52 -55.62 1.08 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.656 -0.652 . . . . 0.0 111.207 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -108.21 9.71 28.03 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 120.172 -1.58 . . . . 0.0 112.463 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -155.65 165.6 36.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 119.275 -2.14 . . . . 0.0 112.754 -179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.819 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -115.98 125.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.759 ' HB1' ' CG ' ' A' ' 41' ' ' PHE . . . -109.78 152.63 25.45 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.294 -0.879 . . . . 0.0 109.953 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.97 ' O ' HG22 ' A' ' 42' ' ' THR . 28.4 t90 -136.48 141.1 43.47 Favored 'General case' 0 C--O 1.199 -1.598 0 O-C-N 121.421 -0.799 . . . . 0.0 109.704 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.956 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.99 123.87 4.17 Favored Pre-proline 0 C--N 1.296 -1.719 0 C-N-CA 119.408 -0.917 . . . . 0.0 112.02 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.595 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.7 Cg_endo -98.19 -60.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.653 0 O-C-N 123.897 1.472 . . . . 0.0 108.57 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 35' ' ' PRO . 4.1 mt-10 -155.59 89.29 1.17 Allowed 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.432 -0.792 . . . . 0.0 109.173 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.83 -160.34 8.4 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 -21.62 8.39 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.295 -1.12 . . . . 0.0 109.803 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.1 m-20 -73.99 159.06 33.25 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -42.26 -31.78 0.43 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 122.288 1.042 . . . . 0.0 108.845 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.956 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -156.79 -166.04 2.01 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.806 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 1.017 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.8 t -103.12 -33.35 9.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.755 -0.591 . . . . 0.0 109.453 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.017 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -146.65 168.26 6.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 O-C-N 121.043 -1.036 . . . . 0.0 109.593 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 43' ' ' ILE . 3.3 p -157.47 119.53 3.78 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.9 ' CE1' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -114.59 123.36 49.15 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.98 -1.075 . . . . 0.0 110.158 -179.416 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -67.16 109.16 2.94 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.388 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.639 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 1.9 m-30 -40.74 -42.87 1.86 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.538 -0.727 . . . . 0.0 109.951 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 50' ' ' ILE . . . -67.26 -46.22 74.35 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.334 -1.479 . . . . 0.0 108.047 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.8 m-20 -45.26 -29.8 1.08 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.986 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.8 pp -112.93 160.94 12.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.347 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -147.29 102.84 3.52 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 116.868 -1.933 . . . . 0.0 110.72 176.363 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.77 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.5 127.92 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.644 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.927 ' HG3' HD12 ' A' ' 67' ' ' LEU . 28.3 mp0 -143.51 127.19 17.07 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 117.813 -1.555 . . . . 0.0 111.246 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -147.36 113.79 5.95 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -142.63 101.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 120.992 -1.067 . . . . 0.0 109.837 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.658 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -120.74 25.56 0.12 Allowed Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.215 -0.928 . . . . 0.0 111.277 178.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.769 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 1.2 Cg_endo -64.14 -4.05 7.08 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 116.281 -2.013 . . . . 0.0 112.255 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -62.22 -13.93 32.89 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.728 -1.233 . . . . 0.0 108.193 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.89 21.72 2.14 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.1 mmpt? -103.73 -170.84 1.84 Allowed 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.751 -1.441 . . . . 0.0 112.418 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.869 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -38.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.382 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 1.139 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -169.21 29.79 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.886 0 CA-C-O 116.725 -1.607 . . . . 0.0 111.857 178.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.139 HG22 ' O ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER 113.14 81.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.8 1.636 . . . . 0.0 112.198 177.733 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -132.15 140.22 48.68 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 178.043 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.958 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -129.34 162.45 27.95 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.741 -1.224 . . . . 0.0 109.717 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.518 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -142.83 120.26 11.67 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.762 0.791 . . . . 0.0 110.904 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.986 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -127.69 152.08 48.16 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.326 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.122 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.31 157.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 C-N-CA 117.22 -1.792 . . . . 0.0 112.252 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -91.38 145.08 24.93 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.484 -176.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 41.1 m80 -45.35 -32.41 2.04 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -74.93 -153.87 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.431 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.96 50.56 0.76 Allowed Glycine 0 C--N 1.299 -1.476 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.614 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 44.0 m-20 -128.64 127.78 42.87 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.488 -0.931 . . . . 0.0 108.488 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.122 HG23 HG22 ' A' ' 68' ' ' VAL . 10.5 m -108.68 160.26 16.08 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -118.5 115.46 24.66 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.518 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 76.1 m-20 -115.26 122.14 45.04 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.059 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.62 144.56 51.33 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.689 -1.604 . . . . 0.0 109.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.851 ' HE1' ' HG2' ' A' ' 62' ' ' LYS . 44.8 t60 -148.85 142.96 25.96 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.575 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.816 ' HE2' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -117.73 141.65 48.16 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.065 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.945 ' C ' ' HB3' ' A' ' 85' ' ' ALA . 5.7 t -128.65 -55.35 1.23 Allowed 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 122.008 2.186 . . . . 0.0 114.664 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -29.2 91.99 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.168 0.509 . . . . 0.0 110.939 -176.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' SER . 2.5 tm-20 -35.28 -42.74 0.2 Allowed 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.562 -0.711 . . . . 0.0 110.893 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -65.49 -38.22 89.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 110.153 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.2 p -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.139 -0.976 . . . . 0.0 110.841 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.945 ' HB3' ' C ' ' A' ' 80' ' ' SER . . . -90.92 79.73 5.86 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.084 -1.01 . . . . 0.0 113.573 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' OE2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -149.43 -112.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.068 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.704 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.3 tttt -54.1 -65.12 0.63 Allowed 'General case' 0 C--O 1.205 -1.245 0 O-C-N 120.615 -1.303 . . . . 0.0 111.297 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.9 ' OE2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -35.56 -67.1 0.17 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.991 -1.068 . . . . 0.0 110.655 -178.69 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.633 HH11 HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -58.97 -29.82 67.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.46 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.2 t0 -61.73 -16.33 48.35 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 94' ' ' ASP . . . -87.71 -30.25 20.49 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 12' ' ' VAL . 42.4 t -59.07 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.609 ' O ' ' OE1' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -46.52 -36.96 7.28 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 33.6 t0 -52.97 -30.59 35.82 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 9' ' ' LEU . 3.2 mm? -92.82 -42.87 9.3 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.313 -0.867 . . . . 0.0 109.104 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -43.1 -68.09 0.22 Allowed 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.614 -0.679 . . . . 0.0 112.022 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.609 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -61.51 -0.99 0.47 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.616 -1.303 . . . . 0.0 110.85 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -90.94 -39.75 12.09 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.047 -1.033 . . . . 0.0 108.504 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -82.5 -26.6 32.41 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.248 -0.908 . . . . 0.0 108.952 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 53' ' ' GLN . 20.7 mt -56.48 -37.17 54.57 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 38.1 Cg_exo -69.97 -4.18 13.65 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.203 1.633 . . . . 0.0 110.623 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -85.93 -29.73 23.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 110.389 -179.104 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.639 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -122.49 1.33 9.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.229 -0.92 . . . . 0.0 109.802 -178.156 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.49 -178.92 3.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.252 -0.905 . . . . 0.0 109.265 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -88.58 78.78 7.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.199 -0.938 . . . . 0.0 109.154 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.67 110.93 22.27 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.5 49.67 0.84 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.307 -0.871 . . . . 0.0 109.37 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.305 -1.348 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.433 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -139.41 -162.82 1.38 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -46.39 -53.3 11.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.28 -0.887 . . . . 0.0 109.466 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -48.35 132.16 16.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -118.85 -143.33 0.36 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.273 -0.892 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 5.5 mp0 -62.54 162.19 10.79 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.008 -1.057 . . . . 0.0 109.409 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.59 112.34 19.2 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.453 -0.779 . . . . 0.0 109.0 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.591 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.6 m -98.84 155.28 3.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 120.596 -1.315 . . . . 0.0 109.679 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.6 tp -98.72 -50.14 4.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.067 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.738 ' CD2' HG22 ' A' ' 92' ' ' VAL . 5.0 tt -159.1 148.17 18.49 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.46 -2.025 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.081 HD13 ' CG ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.23 150.37 21.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-O 122.823 1.297 . . . . 0.0 111.117 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.782 HG21 ' HE1' ' A' ' 79' ' ' PHE . 35.8 m -134.84 113.52 16.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -59.23 -18.19 34.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.866 179.306 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.608 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 1.1 tptt -117.7 122.01 42.37 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.988 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.023 HG21 ' HB2' ' A' ' 24' ' ' LEU . 22.7 t -151.49 151.88 11.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -123.42 130.75 53.16 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-O 121.73 0.776 . . . . 0.0 109.575 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.612 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 16.3 pt20 -137.06 131.0 32.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.68 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.682 -0.636 . . . . 0.0 111.402 -174.168 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.648 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -74.96 -57.45 3.89 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.614 -1.304 . . . . 0.0 110.15 178.259 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.648 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 7.9 tt0 -152.14 168.59 24.83 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.71 -0.619 . . . . 0.0 109.8 -173.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -105.77 128.48 53.73 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 176.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.606 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.52 165.65 35.65 Favored Glycine 0 C--N 1.294 -1.779 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.604 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.31 136.24 33.99 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 123.147 1.451 . . . . 0.0 111.7 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.041 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.68 131.78 54.03 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.02 -176.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 1.081 ' CG ' HD13 ' A' ' 11' ' ' ILE . 30.9 m-85 -111.47 131.5 55.17 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.385 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 99' ' ' LEU . 2.6 tt -109.99 128.53 55.45 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.591 ' CE ' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -118.1 153.15 34.25 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.16 -55.68 0.96 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.982 -0.449 . . . . 0.0 110.985 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.2 tt0 -105.92 5.15 30.3 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.357 -1.464 . . . . 0.0 112.406 -177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -158.83 165.57 33.92 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 119.12 -2.237 . . . . 0.0 113.423 -179.239 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 26' ' ' LEU . 1.2 mm -108.87 136.67 43.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -125.18 150.24 47.15 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.958 -1.089 . . . . 0.0 111.118 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.88 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 21.9 t90 -123.61 143.92 49.92 Favored 'General case' 0 C--O 1.193 -1.872 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.29 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.049 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.56 165.24 17.86 Favored Pre-proline 0 C--N 1.295 -1.768 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.652 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo -108.0 -162.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.81 1.427 . . . . 0.0 108.84 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 83.5 2.16 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.945 -1.097 . . . . 0.0 109.371 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.1 -58.32 0.01 OUTLIER Glycine 0 CA--C 1.532 1.114 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -96.88 -172.74 2.53 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.123 -1.222 . . . . 0.0 109.975 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.88 48.07 1.28 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.381 -0.825 . . . . 0.0 109.502 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 7.4 ptm180 -157.34 -139.66 0.07 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.33 -0.856 . . . . 0.0 108.914 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.049 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -126.0 177.73 6.17 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 123.404 1.573 . . . . 0.0 112.257 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -125.61 2.18 7.56 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 113.204 -1.817 . . . . 0.0 106.773 178.708 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -154.55 154.3 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 121.551 -0.718 . . . . 0.0 109.821 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 p -162.66 101.95 1.04 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.039 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.725 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.81 115.45 29.85 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.122 -0.986 . . . . 0.0 109.363 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.567 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.41 115.26 4.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.492 -0.755 . . . . 0.0 109.496 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.91 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.4 m-30 -39.86 -43.69 1.51 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.808 -0.558 . . . . 0.0 109.871 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.5 86.14 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 120.107 -1.62 . . . . 0.0 107.68 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.1 m-20 -62.12 -5.47 2.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.652 177.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.034 HG21 HD21 ' A' ' 67' ' ' LEU . 1.3 mt -131.69 140.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -147.22 103.04 3.55 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 116.373 -2.131 . . . . 0.0 111.145 175.768 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.862 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER 172.68 121.74 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 176.634 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 1.091 ' CB ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -143.5 120.8 11.57 Favored 'General case' 0 C--N 1.279 -2.492 0 C-N-CA 116.978 -1.889 . . . . 0.0 111.805 -177.352 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.796 ' C ' HD12 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.34 112.65 14.67 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.055 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.796 HD12 ' C ' ' A' ' 54' ' ' LYS . 1.3 mp -115.58 102.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 118.677 -1.209 . . . . 0.0 109.384 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.854 ' N ' ' HD3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -120.24 80.04 27.9 Favored Pre-proline 0 C--N 1.303 -1.441 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.724 178.35 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.854 ' HD3' ' N ' ' A' ' 56' ' ' SER . 4.6 Cg_endo -141.1 20.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.895 0 C-N-CA 115.046 -2.836 . . . . 0.0 110.59 175.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -78.19 -30.02 48.79 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.22 -0.925 . . . . 0.0 108.964 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -143.74 44.63 0.92 Allowed Glycine 0 C--N 1.3 -1.462 0 N-CA-C 106.724 -2.551 . . . . 0.0 106.724 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 56' ' ' SER . 1.8 mmtp -116.4 -169.0 1.53 Allowed 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.235 -1.156 . . . . 0.0 112.595 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.698 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -36.62 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.606 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.885 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -172.53 52.78 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.831 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.959 177.28 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.924 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 1.0 OUTLIER 81.94 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 120.962 1.71 . . . . 0.0 114.204 -179.602 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -131.78 141.66 49.54 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.411 -1.268 . . . . 0.0 107.897 177.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.871 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.27 166.82 20.36 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.543 -1.348 . . . . 0.0 111.178 -179.575 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -142.08 134.88 28.53 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.826 0.822 . . . . 0.0 110.726 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.034 HD21 HG21 ' A' ' 50' ' ' ILE . 1.1 tp -141.6 137.97 32.28 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -119.25 159.05 20.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-O 122.855 1.312 . . . . 0.0 110.548 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.904 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -93.02 144.55 25.14 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.94 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 4.5 p80 -45.65 -31.24 1.83 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -72.18 -149.35 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.04 51.13 0.73 Allowed Glycine 0 C--N 1.297 -1.633 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.56 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.47 135.31 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.634 -178.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.03 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.26 154.46 21.75 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.774 -0.771 . . . . 0.0 109.082 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 m -123.82 112.0 16.78 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -109.42 135.69 50.04 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.695 -1.253 . . . . 0.0 108.636 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.041 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -140.56 151.33 44.63 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.412 -1.315 . . . . 0.0 110.613 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.705 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.2 t-80 -143.97 151.69 40.09 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.278 1.037 . . . . 0.0 110.096 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.917 ' HB2' HG23 ' A' ' 63' ' ' ILE . 62.9 m-85 -108.84 148.9 29.89 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 122.186 0.993 . . . . 0.0 111.115 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -177.12 110.83 0.08 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 118.84 -1.144 . . . . 0.0 112.794 177.802 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.608 ' ND2' ' CG ' ' A' ' 14' ' ' LYS . 3.7 m120 -138.28 165.95 25.42 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 83' ' ' SER . 9.8 pt-20 -47.39 -28.46 2.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.214 -0.928 . . . . 0.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -150.64 18.89 0.81 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 118.694 -1.202 . . . . 0.0 112.806 -179.229 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.639 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.9 OUTLIER -119.21 30.22 7.25 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 119.818 -1.801 . . . . 0.0 108.129 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . -92.87 46.8 1.24 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.896 -1.128 . . . . 0.0 109.851 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.86 -141.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 121.042 -1.036 . . . . 0.0 111.624 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -51.86 -16.55 0.73 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.474 0.654 . . . . 0.0 110.356 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.598 ' HB2' HG23 ' A' ' 84' ' ' THR . 1.0 OUTLIER -57.21 -73.67 0.06 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.462 1.125 . . . . 0.0 108.39 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.723 ' HG3' ' HB3' ' A' ' 79' ' ' PHE . 1.4 mmp_? -70.09 -34.05 72.67 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.924 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.3 t0 -42.24 -49.15 5.0 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -57.41 -54.77 43.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 176.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 10' ' ' LEU . 38.5 t -40.3 -54.48 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.661 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -49.74 -51.05 41.74 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.598 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 5.6 t0 -39.92 -62.86 0.66 Allowed 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.1 mt -41.55 -56.45 2.56 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.1 mt -38.14 -68.1 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.444 0.64 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.499 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -68.73 -1.34 6.8 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 118.989 -1.084 . . . . 0.0 110.372 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.13 -36.03 15.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -88.1 -25.08 23.2 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 121.126 -0.984 . . . . 0.0 108.449 178.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -43.04 -36.12 1.54 Allowed Pre-proline 0 C--N 1.302 -1.498 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -177.013 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.0 Cg_exo -75.05 4.36 4.84 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 O-C-N 124.575 1.829 . . . . 0.0 111.809 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 99' ' ' LEU . 4.8 tttt -98.75 -42.98 6.96 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 112.24 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -69.52 -6.6 31.8 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.785 -1.197 . . . . 0.0 110.08 -175.586 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -171.05 3.25 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.459 ' NH1' ' CG ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -100.68 -162.29 0.93 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 119.567 -1.958 . . . . 0.0 108.854 179.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -134.51 21.29 3.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.044 -1.035 . . . . 0.0 109.326 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.06 -43.64 5.7 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.289 -0.882 . . . . 0.0 109.428 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.305 -1.347 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.441 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.59 -72.55 0.17 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' SER . 5.7 t -90.47 26.84 1.86 Allowed 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.238 -0.914 . . . . 0.0 109.544 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -45.86 96.46 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.524 -0.735 . . . . 0.0 109.355 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.6 m -96.63 -146.46 0.29 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.435 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.62 162.62 20.64 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.213 -0.929 . . . . 0.0 109.723 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.12 112.09 18.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.765 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.72 154.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 O-C-N 120.361 -1.462 . . . . 0.0 109.103 -177.618 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.093 ' CD2' HD13 ' A' ' 95' ' ' LEU . 20.9 tp -98.67 -31.01 12.14 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.482 -0.887 . . . . 0.0 113.0 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.886 HD21 HG13 ' A' ' 12' ' ' VAL . 6.2 tt -177.4 150.39 0.7 Allowed 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.133 -2.229 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.03 137.11 56.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.886 HG13 HD21 ' A' ' 10' ' ' LEU . 1.3 m -127.27 123.4 61.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.978 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.61 -82.0 0.03 OUTLIER 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 117.971 -1.492 . . . . 0.0 108.993 -178.651 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 13' ' ' LYS . 1.4 mptt -48.6 117.59 2.1 Favored 'General case' 0 C--N 1.274 -2.698 0 O-C-N 120.035 -1.666 . . . . 0.0 112.03 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.107 HG21 ' HB2' ' A' ' 24' ' ' LEU . 55.9 t -146.11 144.7 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-O 122.174 0.988 . . . . 0.0 108.55 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.78 135.99 54.93 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.613 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.4 pt20 -143.51 133.89 24.68 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.14 -25.15 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.727 -173.679 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -76.19 -58.9 3.01 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.696 -1.252 . . . . 0.0 109.521 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.619 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.74 169.23 22.71 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.743 0.782 . . . . 0.0 110.925 -174.651 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 m-20 -105.67 132.62 51.59 Favored 'General case' 0 C--N 1.293 -1.878 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.89 166.4 36.19 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -174.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.978 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.74 133.51 34.36 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.922 1.344 . . . . 0.0 110.482 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.54 133.87 52.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.832 -175.387 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 16.1 m-85 -112.26 139.03 48.15 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 95' ' ' LEU . 8.5 tt -118.42 136.91 53.5 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 119.779 -1.826 . . . . 0.0 108.399 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.765 ' SD ' HG12 ' A' ' 8' ' ' VAL . 3.4 ttp -134.32 139.67 45.84 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.56 -55.91 1.07 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.625 -0.672 . . . . 0.0 110.465 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -85.21 -16.13 41.3 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.33 -175.284 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.01 163.35 37.84 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.607 -1.933 . . . . 0.0 112.33 179.549 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.65 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.0 129.26 68.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -110.06 160.06 16.77 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.233 -0.917 . . . . 0.0 111.017 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.794 ' CE3' HG21 ' A' ' 42' ' ' THR . 21.2 t90 -139.58 144.93 38.0 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.999 0.904 . . . . 0.0 110.403 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.808 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -151.14 119.06 3.39 Favored Pre-proline 0 C--N 1.293 -1.869 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.471 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 5.3 Cg_endo -104.47 -158.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.934 1.491 . . . . 0.0 109.215 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -86.72 34.05 0.65 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.106 -0.996 . . . . 0.0 109.687 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . -62.91 -118.42 0.01 OUTLIER Glycine 0 C--O 1.215 -1.041 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -157.67 60.62 0.48 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.067 -1.255 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -161.22 -130.87 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.07 -48.7 1.46 Allowed 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.808 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 39.0 m-85 -113.12 -174.65 2.5 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.327 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.794 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -140.74 -40.83 0.41 Allowed 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.72 HD12 ' NE2' ' A' ' 45' ' ' HIS . 3.5 pt -151.56 173.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.669 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.9 m -166.82 109.28 0.7 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.762 ' CB ' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.53 128.92 55.54 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.868 -1.145 . . . . 0.0 110.539 -178.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.1 mpp? -73.13 108.86 6.25 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.695 ' CE2' HD13 ' A' ' 99' ' ' LEU . 11.8 m-85 -30.81 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.665 -0.647 . . . . 0.0 112.29 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -65.88 -45.52 81.75 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 120.154 -1.591 . . . . 0.0 108.282 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.563 ' C ' HD13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -66.08 -5.99 11.61 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -123.5 105.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HZ3' ' HD3' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -130.52 103.33 6.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 115.9 -2.32 . . . . 0.0 113.526 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.41 140.36 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 176.027 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.529 ' NE2' ' HG ' ' A' ' 100' ' ' LEU . 2.5 mt-30 -142.42 120.81 12.38 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 117.031 -1.868 . . . . 0.0 111.173 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.707 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -119.79 113.44 20.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.314 -1.766 . . . . 0.0 108.291 -178.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 54' ' ' LYS . 8.9 mm -126.85 101.46 7.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.647 -1.283 . . . . 0.0 109.702 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.67 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -119.55 9.41 0.07 OUTLIER Pre-proline 0 C--N 1.303 -1.437 0 O-C-N 121.481 -0.762 . . . . 0.0 111.893 179.322 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.772 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 2.8 Cg_endo -64.81 -5.52 10.68 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 114.82 -2.987 . . . . 0.0 111.582 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -15.74 58.39 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 108.359 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.57 21.98 2.71 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 56' ' ' SER . 7.7 mmmt -87.87 -121.58 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.078 -1.248 . . . . 0.0 108.431 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 62' ' ' LYS . . . -128.33 -20.06 3.76 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.842 ' HD3' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -158.6 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.1 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -151.58 84.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-O 122.836 1.303 . . . . 0.0 114.378 -177.183 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -109.09 124.58 51.0 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 119.727 -1.858 . . . . 0.0 108.067 178.018 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.788 ' HG ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.33 166.2 11.71 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.154 -0.966 . . . . 0.0 110.701 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -143.43 134.96 26.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 121.145 -0.972 . . . . 0.0 111.012 -179.401 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 ' CG2' ' A' ' 50' ' ' ILE . 1.1 tt -136.88 134.79 37.23 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.2 t -109.84 157.11 10.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 C-N-CA 117.583 -1.647 . . . . 0.0 110.834 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.2 mm? -84.4 147.68 27.0 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.006 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 31.6 m-70 -47.35 -38.43 12.96 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.24 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.376 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.36 52.34 0.65 Allowed Glycine 0 C--N 1.3 -1.449 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 9.0 t0 -128.8 142.22 51.05 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.527 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.733 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.41 158.79 17.2 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.01 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 18.6 m -132.58 104.24 6.57 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -109.77 145.75 36.13 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.842 -1.161 . . . . 0.0 109.078 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.078 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.61 142.64 23.99 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.412 1.101 . . . . 0.0 110.36 179.456 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.672 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 52.2 t-80 -144.61 166.74 24.33 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.735 -175.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.057 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -147.81 144.16 27.99 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.597 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . 5.7 t -177.66 141.03 0.27 Allowed 'General case' 0 C--O 1.215 -0.715 0 O-C-N 119.539 -1.976 . . . . 0.0 107.796 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' HB2' HG22 ' A' ' 84' ' ' THR . 10.1 m120 -150.81 -120.48 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.811 -1.181 . . . . 0.0 109.167 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 11.2 mm-40 -107.34 -41.81 5.0 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.5 m -150.39 17.32 0.83 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.088 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 84' ' ' THR . 2.4 t -119.24 22.79 11.65 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 120.178 -1.576 . . . . 0.0 107.914 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.708 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . -91.46 17.58 8.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -176.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.587 ' N ' ' NH2' ' A' ' 89' ' ' ARG . 2.3 t -129.37 -66.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 123.187 2.721 . . . . 0.0 112.033 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.623 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -59.65 -64.41 0.95 Allowed 'General case' 0 CA--C 1.556 1.19 0 O-C-N 120.799 -1.188 . . . . 0.0 113.693 -178.492 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 1.9 mt-10 -35.6 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.237 -0.914 . . . . 0.0 111.211 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.756 ' CD ' HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.85 -21.37 64.28 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 117.841 -1.543 . . . . 0.0 108.433 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -45.07 -55.67 5.41 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -58.89 -54.01 51.92 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 10' ' ' LEU . 54.0 t -39.5 -63.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.593 0.711 . . . . 0.0 109.901 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.687 ' HD2' HG23 ' A' ' 55' ' ' ILE . 3.9 tttm -58.7 -47.93 82.87 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 26.0 t0 -46.26 -19.7 0.08 Allowed 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.093 HD13 ' CD2' ' A' ' 9' ' ' LEU . 1.3 mt -89.33 -44.27 10.34 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.788 HD11 ' HG ' ' A' ' 65' ' ' LEU . 1.1 mt -37.3 -65.36 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.831 0.824 . . . . 0.0 109.405 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.594 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER -70.2 -1.75 11.15 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.105 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -100.0 -28.61 12.99 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.427 -0.796 . . . . 0.0 109.589 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.695 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -87.25 -31.64 20.16 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.0 -1.063 . . . . 0.0 109.179 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.652 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -40.77 -40.12 2.04 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 41.5 Cg_exo -65.3 -37.89 29.21 Favored 'Trans proline' 0 C--N 1.299 -2.075 0 O-C-N 124.659 1.873 . . . . 0.0 111.214 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 99' ' ' LEU . 10.8 tttm -50.33 -51.7 43.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.619 0.723 . . . . 0.0 111.607 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -109.95 -0.97 17.96 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.607 -0.683 . . . . 0.0 109.611 -177.036 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' HD3' ' HZ3' ' A' ' 51' ' ' LYS . 3.1 tptt -155.07 105.74 2.56 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.328 -0.857 . . . . 0.0 109.752 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -114.9 141.45 47.92 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 109.247 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -71.65 -166.28 0.2 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.168 -0.958 . . . . 0.0 109.405 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.53 162.13 14.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.268 -0.895 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.442 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.51 137.76 48.67 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.264 -0.897 . . . . 0.0 109.449 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 t -80.18 144.36 33.06 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.327 -0.858 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.77 -20.47 53.29 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.232 -0.917 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.22 162.0 14.03 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.132 -0.98 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.94 163.65 9.35 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.944 0.878 . . . . 0.0 110.201 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -119.28 114.14 21.94 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.151 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m -98.8 154.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 O-C-N 120.612 -1.305 . . . . 0.0 110.251 -177.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.84 -47.89 5.12 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.003 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 95' ' ' LEU . 26.8 tp -158.38 143.07 16.15 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.675 -1.891 . . . . 0.0 110.136 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 136.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.351 -0.843 . . . . 0.0 110.019 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.854 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -119.26 100.16 9.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-O 122.198 0.999 . . . . 0.0 108.613 177.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.659 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.76 -18.9 9.41 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.02 0.914 . . . . 0.0 110.954 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.0 tptt -115.93 120.45 39.23 Favored 'General case' 0 C--N 1.28 -2.45 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.24 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' HB2' ' A' ' 24' ' ' LEU . 36.9 t -150.75 148.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.489 -1.285 . . . . 0.0 109.301 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 9.7 tpp180 -123.55 134.66 53.81 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.65 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 8.5 pt20 -141.58 134.82 29.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' GLN . 11.4 mttp -36.68 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.847 -0.533 . . . . 0.0 111.382 -174.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 ptpm? -80.98 -55.9 4.48 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.514 -1.367 . . . . 0.0 110.472 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.645 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.49 168.67 24.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 110.228 -175.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -106.1 129.98 54.09 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 101.027 -3.694 . . . . 0.0 101.027 175.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.6 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.75 165.9 35.9 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.596 -176.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.59 134.64 34.39 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 123.2 1.476 . . . . 0.0 111.143 -176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.109 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.6 mt -107.93 134.32 51.02 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.7 -175.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.774 ' CE1' HD12 ' A' ' 11' ' ' ILE . 7.5 m-85 -116.85 135.18 53.94 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 27' ' ' MET . 1.7 tt -109.77 130.08 55.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.175 -1.578 . . . . 0.0 106.974 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 1.151 ' CE ' HG12 ' A' ' 8' ' ' VAL . 6.0 ttm -116.04 153.8 31.05 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.6 -55.45 1.12 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.824 -0.548 . . . . 0.0 111.165 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.7 tt0 -105.94 7.98 32.34 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.357 -1.464 . . . . 0.0 112.769 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' C ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -159.56 165.31 33.14 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 119.241 -2.162 . . . . 0.0 113.164 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.771 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -109.87 123.4 65.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.479 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -110.8 158.81 18.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.165 0.983 . . . . 0.0 111.498 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.899 ' CE3' HG21 ' A' ' 42' ' ' THR . 16.9 t90 -134.42 140.53 46.34 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.253 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 40' ' ' ARG . . . -152.76 159.52 32.3 Favored Pre-proline 0 C--N 1.297 -1.679 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.335 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -107.35 -155.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 123.97 1.51 . . . . 0.0 109.119 178.064 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.97 81.58 1.47 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.821 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -160.28 -174.52 30.19 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.84 58.9 0.15 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.115 -1.226 . . . . 0.0 108.96 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' GLY . 4.6 t0 -164.53 135.26 4.15 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 177.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.2 mpt_? -117.99 -5.5 10.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 119.087 -2.258 . . . . 0.0 110.274 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 15.8 m-85 -135.14 81.24 1.88 Allowed 'General case' 0 C--N 1.29 -2.006 0 C-N-CA 119.51 -0.876 . . . . 0.0 111.443 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 1.018 HG23 HG23 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -60.22 -35.63 75.86 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 177.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.018 HG23 HG23 ' A' ' 42' ' ' THR . 2.2 pp -150.72 172.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.118 0.961 . . . . 0.0 111.852 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -168.48 113.34 0.62 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.873 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.1 117.16 33.44 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.874 -1.141 . . . . 0.0 109.046 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.9 115.14 5.05 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.617 -0.677 . . . . 0.0 110.136 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.1 m-30 -39.04 -45.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.996 -0.44 . . . . 0.0 110.178 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.13 -37.13 78.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 119.96 -1.713 . . . . 0.0 108.391 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.5 m-20 -66.71 -4.69 9.54 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.571 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.873 HD13 ' HB2' ' A' ' 45' ' ' HIS . 6.0 pt -137.87 139.05 43.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.433 -0.792 . . . . 0.0 109.121 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.551 ' HG2' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -144.0 103.64 4.05 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 119.201 -2.187 . . . . 0.0 112.101 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.882 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.01 128.07 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.444 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.636 ' HG2' HD12 ' A' ' 67' ' ' LEU . 1.4 mt-30 -143.57 120.98 11.65 Favored 'General case' 0 C--N 1.285 -2.227 0 C-N-CA 117.646 -1.622 . . . . 0.0 111.314 -177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.9 tttp -132.54 113.08 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.886 HG22 ' HD2' ' A' ' 57' ' ' PRO . 4.6 mm -128.9 102.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.961 -1.087 . . . . 0.0 109.444 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.646 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 2.2 m -119.45 29.2 0.14 Allowed Pre-proline 0 C--N 1.3 -1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 110.877 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' A' ' 55' ' ' ILE . 4.1 Cg_exo -69.23 -4.8 14.39 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 115.269 -2.687 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.29 -12.08 48.08 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.42 18.9 2.84 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 15.3 mmtt -90.6 -121.3 0.06 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.299 -1.118 . . . . 0.0 108.303 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' C ' ' HG2' ' A' ' 62' ' ' LYS . . . -119.67 -24.73 6.13 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.913 ' HG3' ' HE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -167.05 -76.01 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.59 0.709 . . . . 0.0 109.821 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -162.78 82.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 C-N-CA 118.467 -1.293 . . . . 0.0 113.997 -176.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.522 ' OE1' ' CE ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -114.54 133.74 55.56 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.422 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.841 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.29 166.67 13.7 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.605 -1.31 . . . . 0.0 111.062 -178.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.94 129.35 21.25 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.724 0.773 . . . . 0.0 110.545 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 50' ' ' ILE . 1.9 tt -133.28 149.72 51.93 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.984 HG22 HG23 ' A' ' 74' ' ' THR . 1.9 t -125.64 158.74 34.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-O 123.294 1.521 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -93.51 144.16 25.62 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.051 -177.179 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.6 p80 -45.22 -30.84 1.29 Allowed 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.07 -148.93 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.6 53.08 0.62 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.598 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 7.3 m-20 -128.99 129.78 45.83 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 119.749 -0.78 . . . . 0.0 108.976 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.984 HG23 HG22 ' A' ' 68' ' ' VAL . 2.0 m -108.05 158.37 17.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -125.5 115.8 20.8 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.393 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.07 130.59 55.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.109 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -143.42 152.66 41.82 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.224 -1.39 . . . . 0.0 111.027 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.913 ' HE1' ' HG3' ' A' ' 62' ' ' LYS . 69.9 t60 -150.32 162.97 39.48 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.961 1.363 . . . . 0.0 112.343 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 27.3 m-85 -132.92 140.44 47.85 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.864 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.3 t -152.03 -18.75 0.18 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 123.528 2.876 . . . . 0.0 113.607 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -43.13 106.63 0.07 Allowed 'General case' 0 C--N 1.309 -1.195 0 O-C-N 120.508 -1.37 . . . . 0.0 109.365 -178.629 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 81' ' ' ASN . 9.5 pt-20 -38.68 -43.32 0.88 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.584 -0.698 . . . . 0.0 110.401 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -55.06 -37.79 67.19 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 109.646 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.63 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -133.96 36.74 3.26 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.259 -0.901 . . . . 0.0 109.211 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' A' ' 80' ' ' SER . . . -92.53 22.6 4.53 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 87' ' ' LYS . 77.8 t -144.23 -101.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 O-C-N 118.81 -2.431 . . . . 0.0 111.116 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -34.85 -65.56 0.21 Allowed 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.995 -178.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.9 -62.17 0.5 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.014 0.912 . . . . 0.0 110.485 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.759 ' HB2' HG21 ' A' ' 63' ' ' ILE . 9.9 mmt180 -60.96 -47.33 86.91 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 4.8 m-20 -52.34 -16.59 0.89 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.688 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -96.5 -30.93 13.05 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 4.0 t -66.49 -55.54 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.804 ' CG ' HE22 ' A' ' 97' ' ' GLN . 9.8 ttpt -53.21 -51.2 62.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' LYS . 32.3 m-20 -38.55 -69.49 0.12 Allowed 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -41.68 -51.41 4.09 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 121.486 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.621 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -39.71 -65.9 0.35 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.696 0.76 . . . . 0.0 110.182 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.804 HE22 ' CG ' ' A' ' 93' ' ' LYS . 9.9 mp0 -67.52 -2.53 6.68 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.379 -0.826 . . . . 0.0 110.055 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.01 -35.17 11.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.175 -0.953 . . . . 0.0 109.577 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -90.07 -29.47 18.34 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 121.003 -1.061 . . . . 0.0 108.395 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.635 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -43.15 -41.64 7.21 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.076 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -62.1 -36.35 70.59 Favored 'Trans proline' 0 C--N 1.299 -2.031 0 O-C-N 124.601 1.843 . . . . 0.0 110.5 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -49.94 -43.31 49.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.711 -0.618 . . . . 0.0 111.464 -179.51 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -107.78 -0.47 21.65 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.053 -1.029 . . . . 0.0 110.165 -177.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.551 ' CE ' ' HG2' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -95.56 18.93 11.82 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.104 -0.997 . . . . 0.0 109.053 178.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.34 -81.42 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.842 -0.536 . . . . 0.0 109.649 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.06 157.91 33.42 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.286 -0.884 . . . . 0.0 109.544 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.85 179.6 7.52 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.305 -1.356 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.433 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.0 0.27 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.271 -0.893 . . . . 0.0 109.351 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.38 13.25 2.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.268 -0.895 . . . . 0.0 109.625 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -98.56 -148.68 0.34 Allowed 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.09 -1.006 . . . . 0.0 109.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -111.38 -147.8 0.42 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.314 -0.866 . . . . 0.0 109.601 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.697 ' HB2' ' HE3' ' A' ' 27' ' ' MET . 0.6 OUTLIER -60.94 159.09 11.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.228 -0.92 . . . . 0.0 109.939 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.46 112.22 19.11 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -98.93 155.13 3.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.664 -1.273 . . . . 0.0 109.914 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 26' ' ' LEU . 31.1 tp -98.68 -48.08 5.09 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.338 -176.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -159.33 142.22 14.18 Favored 'General case' 0 C--N 1.311 -1.077 0 O-C-N 119.5 -2.0 . . . . 0.0 110.828 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.761 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.84 133.35 65.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 O-C-N 121.486 -0.759 . . . . 0.0 110.117 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.903 HG11 HG21 ' A' ' 92' ' ' VAL . 5.9 m -115.69 96.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.83 -19.25 16.35 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.943 0.877 . . . . 0.0 110.547 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.16 117.95 30.98 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.499 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.88 148.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.749 174.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HB3' ' HD1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.31 141.99 50.39 Favored 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.735 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 12.3 pt20 -146.11 132.14 19.27 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.71 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.818 -0.551 . . . . 0.0 111.395 -174.04 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.642 ' HD3' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.89 -55.56 4.88 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.464 -1.398 . . . . 0.0 110.291 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.665 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 38.5 tt0 -151.85 168.48 24.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.655 -0.653 . . . . 0.0 110.033 -174.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 3.0 m-20 -106.1 129.43 54.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 101.701 -3.444 . . . . 0.0 101.701 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.02 165.96 36.09 Favored Glycine 0 C--N 1.299 -1.505 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.327 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.77 134.62 34.31 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 123.227 1.489 . . . . 0.0 111.084 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.052 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.74 135.64 48.83 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 113.264 -1.789 . . . . 0.0 110.17 -175.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 8.6 m-85 -117.08 133.55 55.86 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.919 HD23 ' N ' ' A' ' 27' ' ' MET . 4.9 tt -109.97 131.09 55.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.01 -1.681 . . . . 0.0 107.699 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.919 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.8 ttt -117.93 152.36 35.6 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.39 -55.98 1.01 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.825 -0.547 . . . . 0.0 111.504 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 tt0 -103.83 5.81 36.17 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 120.21 -1.556 . . . . 0.0 112.243 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -159.9 165.83 31.39 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.309 -2.12 . . . . 0.0 113.128 -179.232 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.762 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.4 mm -108.94 137.71 39.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.632 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -125.05 150.97 46.24 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.986 -1.071 . . . . 0.0 111.328 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.853 ' N ' HG22 ' A' ' 43' ' ' ILE . 17.1 t90 -124.78 143.25 50.9 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.468 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.54 125.95 4.54 Favored Pre-proline 0 C--N 1.295 -1.798 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.749 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 2.9 Cg_endo -73.52 -173.19 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 123.847 1.446 . . . . 0.0 109.977 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.46 37.47 3.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.895 . . . . 0.0 109.539 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 -47.16 0.01 OUTLIER Glycine 0 C--N 1.306 -1.134 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -147.58 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.208 -1.172 . . . . 0.0 109.539 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -84.19 115.63 22.52 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.236 -0.915 . . . . 0.0 109.064 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -19.88 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.269 0.557 . . . . 0.0 112.019 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -47.72 120.29 3.28 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.183 -0.948 . . . . 0.0 110.325 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -124.97 -14.14 6.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.827 -178.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.853 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -152.27 157.02 5.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.88 -179.4 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 49.8 p -164.0 102.16 0.88 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.8 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.72 115.67 30.29 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 121.102 -0.999 . . . . 0.0 109.105 179.301 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.557 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -65.47 116.89 7.23 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.447 -0.783 . . . . 0.0 110.277 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.92 ' HD1' HD11 ' A' ' 50' ' ' ILE . 4.1 m-30 -39.47 -46.25 1.66 Allowed 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.892 -0.505 . . . . 0.0 109.876 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.541 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.11 -37.3 78.3 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 120.09 -1.631 . . . . 0.0 108.461 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' MET . 23.6 m-20 -68.59 -5.01 17.46 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.508 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.92 HD11 ' HD1' ' A' ' 47' ' ' TYR . 8.0 pt -135.76 133.35 51.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.477 -0.764 . . . . 0.0 109.2 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HD3' ' CD ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -148.1 104.07 3.52 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 119.261 -2.15 . . . . 0.0 113.531 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.672 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 4.8 t 173.26 133.92 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 6.2 mt-30 -143.55 121.61 12.13 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.038 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 113.4 14.22 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.757 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.0 pp -131.77 104.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.913 -1.117 . . . . 0.0 109.91 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.656 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -118.26 30.33 0.15 Allowed Pre-proline 0 C--N 1.302 -1.489 0 O-C-N 121.244 -0.91 . . . . 0.0 110.935 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 56' ' ' SER . 5.5 Cg_exo -68.29 -8.25 22.39 Favored 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 115.746 -2.369 . . . . 0.0 109.779 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 40.4 tp10 -62.82 -14.67 48.34 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.8 26.13 5.17 Favored Glycine 0 C--O 1.215 -1.09 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 11.8 mmmt -105.09 -114.26 0.24 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.85 -7.26 0.1 Allowed 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.672 ' HD3' ' CD2' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -153.14 -105.84 0.05 OUTLIER 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -163.94 84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 O-C-N 120.902 -1.124 . . . . 0.0 113.019 -177.431 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 11.3 pt20 -109.0 130.42 55.48 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.862 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.77 171.28 8.72 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 120.608 -1.308 . . . . 0.0 112.113 -177.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 1.1 tt0 -138.43 131.72 30.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.583 0.706 . . . . 0.0 110.262 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.58 HD22 HD12 ' A' ' 50' ' ' ILE . 6.3 tt -133.54 145.41 50.1 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.5 t -122.61 158.34 26.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.486 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.871 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -92.5 146.17 23.88 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.588 -176.728 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 52.9 m-70 -45.36 -32.01 1.89 Allowed 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.26 -151.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.229 -1.351 . . . . 0.0 107.805 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.14 52.92 0.61 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.615 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 m-20 -128.82 134.81 48.47 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.235 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.48 160.1 15.91 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.228 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.7 m -133.59 107.34 7.93 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 14.7 m-20 -108.83 138.14 45.63 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.924 -1.11 . . . . 0.0 108.244 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.052 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.27 150.82 36.52 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.984 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.672 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t-80 -144.15 156.03 44.17 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 122.631 1.205 . . . . 0.0 112.498 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.098 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -144.72 138.74 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.679 ' C ' ' HB2' ' A' ' 85' ' ' ALA . 17.7 t -176.13 42.36 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 O-C-N 119.29 -2.131 . . . . 0.0 109.473 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.603 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 3.1 m-20 -38.91 155.4 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.638 -0.664 . . . . 0.0 110.682 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ASN . 10.2 tp10 -46.22 -49.55 16.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.35 -0.844 . . . . 0.0 108.875 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m -120.1 -0.07 10.61 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.234 -0.916 . . . . 0.0 110.735 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 84' ' ' THR . 1.1 m -112.04 29.38 7.93 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 120.364 -1.46 . . . . 0.0 107.951 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.679 ' HB2' ' C ' ' A' ' 80' ' ' SER . . . -92.1 59.1 3.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.779 -1.2 . . . . 0.0 110.183 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.906 HG22 ' OE2' ' A' ' 88' ' ' GLU . 10.7 m -153.01 -138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.229 -1.544 . . . . 0.0 112.603 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.649 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -34.58 -41.19 0.12 Allowed 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.842 -0.536 . . . . 0.0 111.537 -178.621 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.906 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -48.06 -72.37 0.05 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.742 -1.224 . . . . 0.0 108.574 179.179 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.677 ' C ' HD13 ' A' ' 63' ' ' ILE . 11.6 mmt180 -62.98 -53.47 53.41 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' N ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -35.73 -50.07 0.62 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -60.83 -53.0 62.64 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.098 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 16.6 t -38.6 -61.07 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.606 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 26.7 ttpp -58.09 -51.52 69.38 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.518 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 7.9 t0 -43.33 -23.2 0.05 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.772 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.65 -44.35 10.67 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.105 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.651 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.0 mt -39.94 -62.03 0.78 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.271 0.557 . . . . 0.0 109.892 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -70.14 -2.01 11.77 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.628 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.28 -36.89 12.96 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.85 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -91.0 -29.25 17.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.654 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 tp -43.11 -45.88 13.42 Favored Pre-proline 0 C--N 1.305 -1.365 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.3 Cg_exo -55.37 -34.43 88.86 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 O-C-N 124.359 1.716 . . . . 0.0 110.682 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -54.22 -42.55 69.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.758 -0.589 . . . . 0.0 112.18 -178.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.715 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -107.32 -4.3 18.78 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.809 -1.182 . . . . 0.0 110.311 -177.349 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 10.9 mmmm -83.04 -166.15 1.26 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.182 -0.948 . . . . 0.0 108.914 179.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.514 ' NH1' ' HG2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -48.6 -95.59 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.173 -0.955 . . . . 0.0 109.577 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.99 -169.02 1.39 Allowed 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.003 -1.061 . . . . 0.0 109.486 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -125.54 -179.36 4.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.269 -0.894 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 38.8 t30 . . . . . 0 C--N 1.305 -1.328 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.384 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.73 71.6 0.82 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.259 -0.901 . . . . 0.0 109.383 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -91.03 -65.99 0.97 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.232 -0.917 . . . . 0.0 109.552 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 5' ' ' SER . 21.8 t -99.76 -168.07 1.55 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.261 -0.899 . . . . 0.0 109.485 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' OG ' ' A' ' 4' ' ' SER . 1.4 m -88.75 -154.04 0.28 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 2.4 mp0 -67.97 162.33 24.61 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.312 -0.867 . . . . 0.0 109.809 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -119.81 113.44 20.61 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.274 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.657 HG12 ' HE2' ' A' ' 27' ' ' MET . 0.8 OUTLIER -98.63 154.69 3.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 O-C-N 120.273 -1.517 . . . . 0.0 109.9 -176.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.004 HD21 ' HG ' ' A' ' 95' ' ' LEU . 8.4 tp -99.0 -50.27 4.23 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.495 -177.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.44 168.21 27.58 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 119.653 -1.905 . . . . 0.0 110.93 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -134.33 136.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.88 96.81 4.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 CA-C-O 122.275 1.036 . . . . 0.0 109.481 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.723 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.24 -18.93 18.37 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.459 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.3 tptm -114.71 115.3 26.85 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 119.849 -0.741 . . . . 0.0 110.233 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.007 HG21 ' HB2' ' A' ' 24' ' ' LEU . 19.2 t -150.26 146.86 16.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 118.223 -1.391 . . . . 0.0 109.548 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.598 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.75 131.16 53.92 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.741 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 12.4 pt20 -136.19 132.69 36.26 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.5 mttp -36.35 -24.1 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.917 -0.489 . . . . 0.0 111.244 -173.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.631 ' HD2' ' NE2' ' A' ' 17' ' ' GLN . 1.6 ptpt -79.67 -53.51 6.76 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.451 -1.406 . . . . 0.0 109.724 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.56 24.54 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.595 0.712 . . . . 0.0 110.738 -174.605 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 m-20 -106.18 130.33 54.08 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 100.507 -3.886 . . . . 0.0 100.507 175.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.626 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.23 36.2 Favored Glycine 0 C--N 1.296 -1.671 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 133.39 34.28 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 123.101 1.429 . . . . 0.0 110.634 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.007 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.1 mt -108.12 132.09 53.95 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.726 -175.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.6 m-85 -111.7 136.74 50.53 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 HD11 ' A' ' 31' ' ' ILE . 16.7 tp -122.78 139.68 53.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.784 -1.823 . . . . 0.0 108.666 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.736 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 4.2 ttm -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.68 -58.53 0.88 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.594 -0.691 . . . . 0.0 111.492 -177.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 9.7 tt0 -86.79 -7.01 58.64 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -173.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HD2' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -160.92 165.61 29.74 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 119.159 -2.213 . . . . 0.0 112.464 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 26' ' ' LEU . 1.2 mm -112.02 134.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.584 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -120.42 149.5 42.27 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.998 -1.064 . . . . 0.0 111.242 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.802 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 18.1 t90 -126.5 143.25 51.26 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.17 0.985 . . . . 0.0 111.147 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.81 108.13 2.88 Favored Pre-proline 0 C--N 1.294 -1.807 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.018 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.5 Cg_endo -55.43 130.19 39.21 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.899 1.473 . . . . 0.0 109.613 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 68.86 0.07 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.287 -0.883 . . . . 0.0 108.914 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -144.31 -47.54 0.04 OUTLIER Glycine 0 C--N 1.306 -1.133 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.239 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.5 mtpt -158.34 -88.92 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.174 0 O-C-N 120.846 -1.385 . . . . 0.0 111.106 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' PHE . 73.2 m-20 -42.99 85.39 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.158 0 O-C-N 121.563 -0.71 . . . . 0.0 112.531 -177.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.0 mtm180 -34.18 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.109 0 O-C-N 121.794 -0.567 . . . . 0.0 112.431 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 39' ' ' ASP . 24.7 m-85 -129.96 136.2 49.18 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.386 -0.821 . . . . 0.0 110.874 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.723 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -135.26 -19.2 1.71 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.549 -0.719 . . . . 0.0 110.805 -179.211 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.802 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -150.81 160.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.537 -1.265 . . . . 0.0 112.338 -178.077 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 t -167.27 101.66 0.52 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.176 177.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.766 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -110.08 119.59 39.77 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.07 -1.019 . . . . 0.0 108.795 179.104 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -69.65 118.69 12.83 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.583 0.706 . . . . 0.0 110.402 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.79 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.7 m-30 -41.12 -45.34 2.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.072 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.06 -34.43 75.15 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 119.889 -1.757 . . . . 0.0 108.431 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' MET . 1.1 m-20 -67.95 -3.91 11.43 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.714 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.87 HG22 HD13 ' A' ' 69' ' ' LEU . 31.4 pt -138.13 134.78 44.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HE3' ' CB ' ' A' ' 104' ' ' LYS . 12.2 tptp -136.38 102.84 5.09 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 116.24 -2.184 . . . . 0.0 112.374 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.9 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.17 136.47 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.059 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.659 ' CG ' HD13 ' A' ' 100' ' ' LEU . 19.4 mp0 -143.23 121.02 11.91 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 117.032 -1.867 . . . . 0.0 111.518 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -124.93 112.96 17.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.272 -1.331 . . . . 0.0 107.968 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.555 ' CG2' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -150.17 101.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 120.774 -1.204 . . . . 0.0 110.017 179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.677 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 17.4 t -120.08 24.34 0.11 Allowed Pre-proline 0 C--N 1.3 -1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.559 178.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.745 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 2.0 Cg_endo -62.6 -6.96 9.77 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 115.836 -2.309 . . . . 0.0 111.879 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PRO . 7.0 pt-20 -49.72 -33.53 16.31 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.873 -1.142 . . . . 0.0 108.047 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.47 35.01 1.77 Allowed Glycine 0 CA--C 1.539 1.579 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -88.92 -112.16 0.07 Allowed 'General case' 0 C--N 1.313 -1.007 0 O-C-N 120.556 -1.555 . . . . 0.0 110.92 -178.779 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' C ' ' HG2' ' A' ' 62' ' ' LYS . . . -124.09 -44.69 2.03 Favored 'General case' 0 C--N 1.311 -1.076 0 O-C-N 120.971 -1.081 . . . . 0.0 109.637 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 1.025 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -167.21 32.36 0.03 OUTLIER 'General case' 0 C--O 1.19 -2.043 0 C-N-CA 118.55 -1.26 . . . . 0.0 112.254 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.025 HG23 ' O ' ' A' ' 62' ' ' LYS 0.293 0.0 OUTLIER 93.26 80.16 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-O 123.917 1.818 . . . . 0.0 113.441 177.936 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -119.39 137.05 54.0 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.935 -1.103 . . . . 0.0 109.274 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.852 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -132.18 163.44 28.54 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 120.701 -1.249 . . . . 0.0 110.574 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.2 mt-30 -147.15 138.85 24.2 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.885 0.85 . . . . 0.0 110.437 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -141.57 149.09 40.31 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.065 HG22 HG23 ' A' ' 74' ' ' THR . 2.1 t -124.67 157.32 32.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 117.949 -1.5 . . . . 0.0 110.107 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.91 144.1 26.22 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.8 -176.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.9 p80 -45.43 -31.99 1.94 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.24 -154.45 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.039 -1.437 . . . . 0.0 107.714 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.7 52.78 0.62 Allowed Glycine 0 C--N 1.296 -1.645 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.634 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 50.5 m-20 -129.71 133.28 46.96 Favored 'General case' 0 C--N 1.286 -2.178 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.605 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.065 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.07 162.89 13.45 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 43.0 m -137.98 104.38 5.23 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.8 m-20 -109.28 145.33 36.13 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.96 -1.087 . . . . 0.0 108.174 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.19 147.7 28.74 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.153 -1.419 . . . . 0.0 111.221 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.673 ' O ' HG13 ' A' ' 15' ' ' VAL . 63.4 t-80 -138.45 163.22 32.49 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 122.137 0.97 . . . . 0.0 110.315 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.962 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -144.97 140.07 27.96 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.703 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -177.08 153.91 1.02 Allowed 'General case' 0 C--N 1.314 -0.963 0 O-C-N 119.173 -2.204 . . . . 0.0 107.947 176.172 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.607 ' HB2' HG22 ' A' ' 84' ' ' THR . 0.3 OUTLIER -150.58 175.91 11.48 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.224 -0.923 . . . . 0.0 108.733 178.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' ASN . 10.9 pt-20 -50.0 -37.27 31.92 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.47 16.29 0.8 Allowed 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.802 -0.561 . . . . 0.0 110.183 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -107.67 16.45 23.67 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 120.386 -1.446 . . . . 0.0 109.78 -179.484 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -91.75 69.68 5.63 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 120.415 -1.428 . . . . 0.0 107.82 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 87' ' ' LYS . 16.9 m -152.87 -136.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.429 -0.794 . . . . 0.0 111.057 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 86' ' ' VAL . 7.8 mttp -34.79 -49.49 0.43 Allowed 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.63 -0.669 . . . . 0.0 112.131 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 84' ' ' THR . 1.2 pm0 -48.27 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.478 -1.389 . . . . 0.0 110.122 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.654 ' CB ' HG13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -61.22 -46.56 89.94 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 122.283 1.04 . . . . 0.0 108.254 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 13.6 t0 -55.79 -12.47 1.32 Allowed 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.573 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.03 -37.23 11.21 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 120.999 -1.063 . . . . 0.0 109.666 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.55 ' CG2' ' HA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -70.67 -41.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.711 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -68.45 -43.98 75.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.813 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.663 ' C ' HE22 ' A' ' 97' ' ' GLN . 8.4 t70 -58.05 -20.63 40.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.004 ' HG ' HD21 ' A' ' 9' ' ' LEU . 3.7 mm? -92.76 -44.38 8.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.051 -1.03 . . . . 0.0 108.687 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.3 mt -37.16 -68.64 0.14 Allowed 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.416 -0.803 . . . . 0.0 110.643 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.76 -0.65 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.463 -0.773 . . . . 0.0 112.005 179.446 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.53 -37.6 11.83 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.79 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -82.47 -29.82 30.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.103 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' HD2' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -42.89 -40.28 4.76 Favored Pre-proline 0 C--N 1.303 -1.456 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.27 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 100' ' ' LEU . 36.8 Cg_exo -69.93 2.16 3.88 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 O-C-N 124.621 1.853 . . . . 0.0 112.314 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -43.87 8.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.905 -1.122 . . . . 0.0 112.177 -177.583 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.82 -3.7 48.48 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.189 -0.944 . . . . 0.0 110.284 -176.782 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.689 ' HD2' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -160.92 124.2 3.32 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.197 -0.939 . . . . 0.0 109.244 177.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -76.77 0.19 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.924 -1.11 . . . . 0.0 109.521 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -58.69 171.26 0.66 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.212 -0.93 . . . . 0.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.72 155.02 17.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.24 -0.912 . . . . 0.0 109.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 C--N 1.305 -1.369 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.392 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.72 -54.86 2.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.263 -0.898 . . . . 0.0 109.481 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 4' ' ' SER . 31.1 m -79.81 -88.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.226 -0.921 . . . . 0.0 109.501 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 3' ' ' THR . 1.7 m -145.31 175.4 10.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.213 -0.93 . . . . 0.0 109.417 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -165.7 1.13 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.26 -0.9 . . . . 0.0 109.406 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 15.0 mp0 -117.06 163.07 16.8 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -118.28 162.64 17.93 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG12 ' SD ' ' A' ' 27' ' ' MET . 4.0 m -98.2 155.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 119.853 -1.779 . . . . 0.0 110.47 -176.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -98.51 -45.61 6.05 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.59 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.96 HD22 HD12 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -159.66 142.85 14.18 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.413 -2.055 . . . . 0.0 110.284 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.34 139.16 36.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.071 -1.018 . . . . 0.0 109.68 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -111.12 106.93 21.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.45 -19.11 13.63 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.401 1.096 . . . . 0.0 109.938 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.662 ' HG2' HD22 ' A' ' 81' ' ' ASN . 0.0 OUTLIER -116.45 123.3 47.16 Favored 'General case' 0 C--N 1.279 -2.478 0 C-N-CA 119.636 -0.825 . . . . 0.0 109.977 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.895 HG21 ' HB2' ' A' ' 24' ' ' LEU . 2.5 t -151.27 148.91 14.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.153 -1.019 . . . . 0.0 108.559 174.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.7 ttm180 -120.9 146.22 46.84 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.731 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 9.3 pt20 -150.03 130.71 14.05 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -37.02 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.703 -0.623 . . . . 0.0 111.296 -174.71 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HD2' ' NE2' ' A' ' 17' ' ' GLN . 14.1 ptpt -78.33 -53.87 6.82 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.573 -1.329 . . . . 0.0 110.247 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.669 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.84 168.3 25.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.586 -0.696 . . . . 0.0 110.002 -175.691 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 8.8 m-20 -106.16 127.66 53.36 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 101.257 -3.608 . . . . 0.0 101.257 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.53 165.63 35.65 Favored Glycine 0 C--N 1.3 -1.431 0 C-N-CA 119.331 -1.414 . . . . 0.0 112.177 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.06 128.58 34.65 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 123.417 1.58 . . . . 0.0 111.893 -175.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.1 mt -107.26 138.77 42.83 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 113.154 -1.839 . . . . 0.0 108.547 -175.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.651 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 5.3 m-85 -118.22 138.24 52.47 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.692 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 31' ' ' ILE . 10.4 tt -114.38 131.56 56.53 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.523 ' HE2' ' CD ' ' A' ' 30' ' ' ARG . 1.4 ttp -121.46 151.59 40.07 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.89 -47.88 0.72 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 122.048 -0.407 . . . . 0.0 110.912 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -109.71 -1.45 18.01 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 120.497 -1.377 . . . . 0.0 112.453 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -157.71 165.08 36.36 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 119.024 -2.298 . . . . 0.0 113.621 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.657 HD13 ' HA ' ' A' ' 26' ' ' LEU . 2.3 mm -108.39 141.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.736 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -130.66 154.03 48.33 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.946 -1.096 . . . . 0.0 111.319 -178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.839 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 14.2 t90 -123.08 139.19 54.32 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.94 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.571 ' HB1' ' CA ' ' A' ' 40' ' ' ARG . . . -152.06 155.78 33.64 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.642 -0.662 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -110.57 141.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 O-C-N 123.775 1.408 . . . . 0.0 109.575 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 87.59 0.08 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.147 -0.971 . . . . 0.0 110.296 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.56 -149.94 5.73 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -91.89 34.94 0.98 Allowed 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.118 -1.225 . . . . 0.0 108.474 179.035 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 38' ' ' LYS . 51.2 m-20 -163.37 120.88 1.87 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.571 ' CA ' ' HB1' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -109.72 -88.73 0.49 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 119.68 -1.887 . . . . 0.0 110.181 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' ARG . 18.1 m-85 -39.85 94.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 122.298 1.047 . . . . 0.0 110.661 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.652 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -106.06 -10.36 16.58 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -153.62 155.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.356 179.149 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.3 m -162.41 103.54 1.09 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.614 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.862 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.59 113.6 26.51 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.161 -0.962 . . . . 0.0 108.942 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.597 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -66.75 108.34 2.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 110.258 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.051 ' CE2' HD13 ' A' ' 99' ' ' LEU . 2.7 m-30 -31.48 -45.0 0.08 Allowed 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.417 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -69.09 -43.78 73.81 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 120.18 -1.575 . . . . 0.0 109.651 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' MET . 78.6 m-20 -67.49 -5.6 15.77 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.326 0.584 . . . . 0.0 109.456 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.9 HD11 ' HD1' ' A' ' 47' ' ' TYR . 13.6 pt -127.61 132.91 68.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' CE ' ' HG2' ' A' ' 104' ' ' LYS . 9.9 tptp -147.14 103.75 3.62 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 119.359 -2.088 . . . . 0.0 112.13 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.874 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.13 120.77 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 176.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG2' HD11 ' A' ' 100' ' ' LEU . 9.7 mp0 -142.33 120.97 12.57 Favored 'General case' 0 C--N 1.279 -2.463 0 C-N-CA 117.139 -1.824 . . . . 0.0 111.708 -175.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 56' ' ' SER . 0.6 OUTLIER -121.81 124.89 45.25 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.849 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.452 HG23 ' HD2' ' A' ' 93' ' ' LYS . 16.4 mm -109.57 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.849 -1.157 . . . . 0.0 109.101 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.652 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 39.2 t -118.39 10.51 0.07 OUTLIER Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.398 -0.814 . . . . 0.0 113.168 -179.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.689 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 2.8 Cg_endo -83.12 18.26 1.52 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 C-N-CA 114.807 -2.995 . . . . 0.0 111.338 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -70.21 -27.33 64.4 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.86 44.51 1.03 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 56' ' ' SER . 6.2 mmtt -104.6 -131.3 0.29 Allowed 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.251 -1.147 . . . . 0.0 108.802 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -104.83 -23.85 12.97 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.548 -1.345 . . . . 0.0 107.638 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.668 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -171.74 -70.67 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 122.335 1.064 . . . . 0.0 109.435 177.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.3 OUTLIER -164.36 83.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.285 -2.231 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -176.676 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 1.1 pm0 -111.08 127.03 55.42 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.722 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -113.0 165.57 12.23 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.548 -1.345 . . . . 0.0 111.527 -178.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -131.37 129.82 41.85 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.722 0.772 . . . . 0.0 110.426 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 4.8 tt -135.11 137.44 42.82 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.927 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -116.19 158.55 16.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-O 122.937 1.351 . . . . 0.0 109.812 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.893 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -91.9 148.34 22.29 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.882 -176.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 8.6 m-70 -44.29 -31.56 1.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -80.15 -143.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.84 53.77 0.63 Allowed Glycine 0 C--N 1.3 -1.443 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.583 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.9 m-20 -127.97 135.9 50.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.831 -0.805 . . . . 0.0 109.045 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.927 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.69 151.45 26.16 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.869 0.842 . . . . 0.0 110.046 -178.485 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' LEU . 11.7 m -122.7 110.91 16.09 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.95 131.96 54.59 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.75 -1.219 . . . . 0.0 109.176 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.102 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -138.26 160.84 38.43 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.922 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.698 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 57.7 t-80 -143.34 169.69 17.19 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.856 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.731 ' HE2' HG21 ' A' ' 12' ' ' VAL . 65.5 m-85 -135.41 150.26 49.83 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.246 -0.909 . . . . 0.0 108.802 178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 79' ' ' PHE . 10.8 t -176.65 130.99 0.2 Allowed 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 118.368 -1.333 . . . . 0.0 112.116 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.737 ' H ' ' HB2' ' A' ' 85' ' ' ALA . 1.8 m120 -150.54 153.97 36.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.592 -0.692 . . . . 0.0 109.413 178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -48.13 -27.31 2.28 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 108.823 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.37 7.46 0.59 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.32 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.686 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -120.92 33.28 5.62 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 119.887 -1.758 . . . . 0.0 107.805 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' A' ' 81' ' ' ASN . . . -92.64 22.41 4.75 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.196 -0.94 . . . . 0.0 112.323 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 87' ' ' LYS . 33.0 m -134.33 -125.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 O-C-N 119.661 -1.9 . . . . 0.0 112.34 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.517 ' N ' HG23 ' A' ' 86' ' ' VAL . 4.9 mttm -33.98 -48.29 0.3 Allowed 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.384 -0.822 . . . . 0.0 110.725 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -46.68 -68.03 0.23 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 122.588 1.185 . . . . 0.0 109.428 178.198 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.645 ' HB2' HG21 ' A' ' 63' ' ' ILE . 2.1 mmt180 -59.47 -58.76 7.18 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -36.92 -37.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.764 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -67.7 -54.34 20.26 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 12' ' ' VAL . 7.1 t -41.39 -52.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 C-N-CA 119.708 -0.797 . . . . 0.0 108.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -53.38 -56.96 12.48 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 93' ' ' LYS . 22.9 t70 -37.88 -62.87 0.51 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.96 HD12 HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -44.88 -52.93 8.12 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.4 mt -39.86 -65.4 0.4 Allowed 'General case' 0 C--N 1.315 -0.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.491 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -69.61 -3.35 14.6 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.033 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -86.59 -31.59 21.09 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.692 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -91.85 -25.53 18.92 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 53' ' ' GLN . 14.1 mt -43.46 -31.09 0.52 Allowed Pre-proline 0 C--N 1.304 -1.371 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 51.0 Cg_exo -70.37 -35.75 10.32 Favored 'Trans proline' 0 C--N 1.301 -1.968 0 O-C-N 124.439 1.757 . . . . 0.0 111.766 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 99' ' ' LEU . 16.8 mttt -56.41 -33.86 66.19 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.961 -1.087 . . . . 0.0 111.844 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -112.58 -5.55 14.0 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.528 -1.269 . . . . 0.0 110.223 -177.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.511 ' HG2' ' CE ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -154.28 106.95 2.82 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.163 -0.961 . . . . 0.0 109.591 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -143.51 -62.89 0.4 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.334 -0.854 . . . . 0.0 109.141 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 135.16 56.37 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.284 -0.885 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.52 -57.0 1.29 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.305 -1.336 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.438 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.87 120.49 16.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.287 -0.883 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.05 -46.88 6.63 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.247 -0.908 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -71.16 -10.42 59.73 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.246 -0.909 . . . . 0.0 109.337 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -76.46 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.256 -0.902 . . . . 0.0 109.418 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' OE2' ' SD ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -65.6 162.22 18.73 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.274 -0.891 . . . . 0.0 109.778 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -119.86 111.99 18.66 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.87 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.75 154.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 120.372 -1.455 . . . . 0.0 109.174 -177.569 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD2' HD23 ' A' ' 95' ' ' LEU . 57.2 tp -98.88 -42.6 7.08 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.586 -0.846 . . . . 0.0 112.495 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 11' ' ' ILE . 7.1 tt -170.61 160.29 7.11 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 119.383 -2.073 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.725 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.19 143.01 30.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.804 0.811 . . . . 0.0 109.943 179.278 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.818 HG13 ' NH1' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -125.65 126.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.027 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -70.11 -82.63 0.04 OUTLIER 'General case' 0 C--O 1.188 -2.177 0 C-N-CA 117.267 -1.773 . . . . 0.0 109.352 -178.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.9 tptt -49.18 124.42 8.95 Favored 'General case' 0 C--N 1.273 -2.755 0 O-C-N 119.674 -1.891 . . . . 0.0 112.278 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.076 HG21 ' HB2' ' A' ' 24' ' ' LEU . 38.8 t -150.8 150.78 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.127 172.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 4.9 tpp180 -126.4 125.36 42.06 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.884 0.85 . . . . 0.0 109.863 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.632 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.6 pt20 -129.42 133.84 47.54 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.21 -23.33 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.872 -0.517 . . . . 0.0 111.344 -173.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.637 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -77.28 -55.7 5.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.504 -1.372 . . . . 0.0 109.796 177.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 tp-100 -151.64 168.61 24.44 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.345 -172.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -105.29 130.31 53.44 Favored 'General case' 0 C--N 1.295 -1.778 1 N-CA-C 99.176 -4.379 . . . . 0.0 99.176 175.769 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.96 166.21 36.16 Favored Glycine 0 C--N 1.293 -1.828 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.027 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.29 139.12 31.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 122.983 1.373 . . . . 0.0 111.777 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.076 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.6 mt -108.91 130.92 55.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.82 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.672 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.3 m-85 -112.58 139.54 48.08 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -123.57 138.96 54.45 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 119.832 -1.792 . . . . 0.0 108.592 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.87 ' SD ' HG12 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -128.99 149.23 50.91 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.054 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -40.98 -58.49 1.71 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.326 -0.859 . . . . 0.0 110.047 -178.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tp10 -87.12 -6.21 58.74 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 113.11 -175.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.653 ' NH1' ' HE3' ' A' ' 27' ' ' MET . 0.3 OUTLIER -158.65 164.36 36.05 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 119.166 -2.209 . . . . 0.0 112.905 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.796 HG22 ' CE1' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -110.74 131.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.383 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -118.83 150.99 38.9 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 121.075 -1.016 . . . . 0.0 110.999 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.882 ' N ' HG22 ' A' ' 43' ' ' ILE . 22.6 t90 -129.94 142.33 50.66 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.842 0.829 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.44 114.29 3.05 Favored Pre-proline 0 C--N 1.294 -1.814 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.571 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.8 Cg_endo -89.65 -171.76 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.95 1.5 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -90.97 54.46 2.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.293 -0.879 . . . . 0.0 109.455 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.84 -102.82 2.22 Favored Glycine 0 C--N 1.304 -1.197 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -139.85 -52.57 0.52 Allowed 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.239 -1.153 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.55 ' O ' ' C ' ' A' ' 40' ' ' ARG . 18.2 m-20 -84.03 87.5 7.14 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.248 -0.908 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.55 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -19.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.351 0.596 . . . . 0.0 111.907 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -45.37 124.14 4.62 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.295 -0.878 . . . . 0.0 110.288 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.677 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -120.65 -14.79 8.55 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.595 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.882 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.32 158.9 4.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.832 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -168.1 101.86 0.45 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.094 177.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.796 ' CE1' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -109.88 121.97 46.46 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.017 -1.052 . . . . 0.0 109.906 179.697 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.42 110.34 3.07 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.298 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.862 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -34.14 -37.83 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 112.003 -177.618 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 120.064 -1.647 . . . . 0.0 107.811 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.612 ' C ' HD13 ' A' ' 50' ' ' ILE . 9.0 m-20 -59.65 -5.98 1.03 Allowed 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.183 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.6 112.9 33.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.661 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HG2' ' NZ ' ' A' ' 104' ' ' LYS . 1.2 tmtt? -130.05 103.1 6.56 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 116.349 -2.14 . . . . 0.0 112.613 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.822 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.42 133.38 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.699 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.964 ' HG2' HD22 ' A' ' 100' ' ' LEU . 4.2 mp0 -143.67 128.01 17.81 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 117.062 -1.855 . . . . 0.0 112.185 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 1.066 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -143.83 112.32 6.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 178.424 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.066 HD13 ' O ' ' A' ' 54' ' ' LYS . 2.2 mm -141.69 103.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.007 -1.058 . . . . 0.0 109.941 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.672 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -119.15 27.15 0.12 Allowed Pre-proline 0 C--N 1.296 -1.72 0 O-C-N 121.368 -0.833 . . . . 0.0 111.048 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.774 ' HD2' HG22 ' A' ' 55' ' ' ILE . 2.4 Cg_endo -67.57 -3.08 9.53 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 116.154 -2.097 . . . . 0.0 111.774 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -52.98 -27.81 20.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.914 -1.116 . . . . 0.0 108.399 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -144.23 43.21 0.99 Allowed Glycine 0 CA--C 1.538 1.519 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 39.8 mmtt -115.54 -177.69 3.21 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.33 -1.688 . . . . 0.0 112.891 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.677 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -31.37 -69.01 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.695 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -163.94 40.21 0.09 Allowed 'General case' 0 C--O 1.193 -1.883 0 O-C-N 120.756 -1.215 . . . . 0.0 112.194 179.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.715 ' HA ' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER 87.07 80.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 120.935 1.698 . . . . 0.0 112.931 178.197 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -133.41 133.27 42.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.49 179.656 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.866 ' HB2' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -119.93 166.85 12.78 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.833 -1.167 . . . . 0.0 110.519 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' H ' HD13 ' A' ' 55' ' ' ILE . 1.1 tt0 -145.72 126.4 14.28 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.465 -0.772 . . . . 0.0 109.657 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -136.58 150.28 48.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.822 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.3 t -120.78 158.0 23.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 C-N-CA 118.169 -1.412 . . . . 0.0 111.374 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -85.29 144.83 27.85 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 114.324 -1.307 . . . . 0.0 108.018 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.3 p80 -48.95 -36.1 16.63 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.55 -152.77 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.574 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.87 54.51 0.55 Allowed Glycine 0 C--N 1.299 -1.474 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.664 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 m-20 -129.41 139.23 51.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.881 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.761 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.43 157.85 18.05 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.509 ' CB ' HD23 ' A' ' 67' ' ' LEU . 1.4 m -127.66 105.89 8.78 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m120 -111.77 139.8 46.95 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.668 -1.27 . . . . 0.0 108.439 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.017 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.23 142.47 24.17 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.698 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.669 ' CE1' ' HB2' ' A' ' 80' ' ' SER . 6.8 t-80 -141.31 163.48 32.84 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 122.16 0.981 . . . . 0.0 111.971 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -148.84 145.28 27.44 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.566 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.727 ' C ' ' HB2' ' A' ' 85' ' ' ALA . 20.2 t -176.54 41.18 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.451 -2.031 . . . . 0.0 111.433 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.607 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 1.3 m-20 -46.11 147.14 1.12 Allowed 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.717 -1.239 . . . . 0.0 109.93 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 81' ' ' ASN . 2.6 mt-10 -41.11 -50.01 3.45 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 121.623 -0.673 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.49 -6.43 15.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.165 -0.96 . . . . 0.0 110.334 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.617 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.8 OUTLIER -111.01 25.08 12.16 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 120.575 -1.328 . . . . 0.0 108.19 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.727 ' HB2' ' C ' ' A' ' 80' ' ' SER . . . -93.4 61.27 3.24 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.551 -1.343 . . . . 0.0 108.927 175.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -151.71 -153.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 120.55 -1.343 . . . . 0.0 111.877 -178.129 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.55 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -37.82 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.394 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -47.85 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.601 -1.312 . . . . 0.0 109.286 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.818 ' NH1' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.275 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.55 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -54.63 -13.35 0.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.574 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.39 -32.32 12.42 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.4 t -58.93 -52.46 60.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.713 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.1 tttm -56.76 -50.3 72.67 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CA ' HE22 ' A' ' 97' ' ' GLN . 17.3 t70 -47.65 -22.19 0.47 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 121.181 0.515 . . . . 0.0 109.727 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 ' CD2' ' A' ' 9' ' ' LEU . 6.2 mp -88.83 -49.7 6.66 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.783 HD13 ' HG ' ' A' ' 65' ' ' LEU . 21.8 mt -37.27 -68.37 0.15 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.898 0.856 . . . . 0.0 111.381 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.713 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.14 -0.86 0.83 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.532 -0.73 . . . . 0.0 110.122 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -91.72 -38.93 12.1 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.852 -1.155 . . . . 0.0 108.451 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.862 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.86 -28.45 26.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.964 HD22 ' HG2' ' A' ' 53' ' ' GLN . 12.8 mt -47.33 -34.9 5.26 Favored Pre-proline 0 C--N 1.304 -1.399 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 32.2 Cg_exo -74.49 -0.26 9.51 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 O-C-N 124.401 1.737 . . . . 0.0 111.354 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 99' ' ' LEU . 6.6 tttt -87.32 -41.96 13.25 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.847 . . . . 0.0 111.422 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.739 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -104.4 2.7 31.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.434 -0.791 . . . . 0.0 109.473 -177.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' NZ ' ' HG2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.12 109.31 1.76 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.298 -0.876 . . . . 0.0 109.586 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -129.96 -63.4 0.91 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.322 -0.862 . . . . 0.0 109.009 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -89.62 177.93 6.41 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.304 -0.872 . . . . 0.0 109.272 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -160.11 177.77 10.36 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.198 -0.939 . . . . 0.0 109.44 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 42.4 p30 . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.406 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.87 -68.03 0.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.23 -0.919 . . . . 0.0 109.485 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 5' ' ' SER . 52.6 m -145.98 125.3 13.05 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 p -59.19 84.49 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.472 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -126.12 177.13 6.56 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.223 -0.923 . . . . 0.0 109.398 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -65.3 161.18 20.06 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.194 -0.942 . . . . 0.0 109.642 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -119.96 110.4 16.66 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.038 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.587 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -98.94 155.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.542 -1.349 . . . . 0.0 109.522 -178.068 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.954 ' HG ' HD13 ' A' ' 95' ' ' LEU . 12.7 tp -98.59 -41.71 7.61 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.639 -0.824 . . . . 0.0 112.582 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -174.07 159.05 3.2 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 119.241 -2.162 . . . . 0.0 111.385 179.698 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.48 141.83 32.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.465 0.65 . . . . 0.0 110.017 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.775 HG21 HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -124.05 126.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.606 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.012 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 36.9 tttt -63.87 -82.45 0.02 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 117.629 -1.628 . . . . 0.0 109.093 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -49.15 123.82 7.93 Favored 'General case' 0 C--N 1.272 -2.782 0 O-C-N 119.83 -1.794 . . . . 0.0 112.16 -176.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.025 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.09 146.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 10.0 tpp180 -122.56 134.61 54.53 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.755 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 12.7 pt20 -139.67 134.72 32.39 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mtpp -36.17 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.992 -0.442 . . . . 0.0 111.544 -173.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.652 ' HD3' ' NE2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -83.2 -53.28 5.89 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.36 -1.462 . . . . 0.0 110.081 177.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.67 24.2 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.478 0.656 . . . . 0.0 111.006 -174.227 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.625 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.79 131.34 53.24 Favored 'General case' 0 C--N 1.298 -1.646 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 175.536 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.1 166.46 36.35 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.012 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.24 136.95 33.29 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 122.878 1.323 . . . . 0.0 110.915 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.025 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -108.69 133.82 52.26 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.749 -175.739 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.612 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.8 m-85 -113.95 138.76 49.9 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 92' ' ' VAL . 1.4 mp -117.08 135.89 53.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.126 -1.609 . . . . 0.0 108.29 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.587 ' SD ' HG12 ' A' ' 8' ' ' VAL . 9.8 ttm -126.02 143.49 51.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.38 -57.61 2.96 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.276 -0.89 . . . . 0.0 109.176 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.9 tt0 -85.42 -6.2 59.23 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.688 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -164.0 165.04 22.91 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 119.393 -2.067 . . . . 0.0 111.72 179.131 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.59 HG13 ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -109.02 135.45 47.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -121.38 146.82 46.48 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.121 -0.987 . . . . 0.0 111.278 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.906 ' N ' HG22 ' A' ' 43' ' ' ILE . 21.8 t90 -126.59 143.3 51.26 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.998 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.857 ' HB2' ' O ' ' A' ' 40' ' ' ARG . . . -151.06 120.75 3.6 Favored Pre-proline 0 C--N 1.297 -1.702 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.019 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 42' ' ' THR . 2.7 Cg_endo -75.2 -40.87 0.73 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 123.904 1.476 . . . . 0.0 110.25 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.88 -172.2 3.51 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.163 -0.961 . . . . 0.0 109.677 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.09 -19.92 76.47 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -68.27 -7.9 34.8 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.221 -1.164 . . . . 0.0 109.477 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -148.8 44.79 1.01 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.178 -0.951 . . . . 0.0 109.31 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.857 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -28.76 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.535 0.684 . . . . 0.0 111.75 -178.453 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' ASP . 16.0 m-85 -126.23 77.16 1.67 Allowed 'General case' 0 C--N 1.283 -2.32 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.386 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.656 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -76.56 -13.06 60.11 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.906 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -151.7 159.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 C-N-CA 119.036 -1.066 . . . . 0.0 111.793 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.1 t -167.79 102.39 0.48 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.661 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.86 121.5 45.38 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 120.933 -1.104 . . . . 0.0 109.311 179.03 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.76 118.07 12.16 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.794 179.392 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CE2' HD13 ' A' ' 99' ' ' LEU . 5.0 m-30 -40.65 -45.44 2.36 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.632 -0.667 . . . . 0.0 110.475 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.26 -33.95 74.03 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 120.001 -1.687 . . . . 0.0 108.253 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 46' ' ' MET . 4.7 m-20 -67.57 -4.1 10.73 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.525 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.864 HG22 HD13 ' A' ' 69' ' ' LEU . 39.4 pt -138.67 136.26 43.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.558 -0.714 . . . . 0.0 109.084 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 2.8 tmtt? -141.25 103.37 4.42 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 116.319 -2.152 . . . . 0.0 112.846 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.681 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 8.7 t 172.55 133.33 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.765 ' HB3' HD21 ' A' ' 100' ' ' LEU . 11.3 mp0 -144.0 127.63 17.09 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 117.234 -1.787 . . . . 0.0 111.754 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' HG23 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -141.41 112.67 7.44 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.195 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.704 ' H ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -150.58 102.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.058 -1.026 . . . . 0.0 109.583 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.625 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -120.52 34.99 0.23 Allowed Pre-proline 0 C--N 1.298 -1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.747 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -73.58 52.77 2.54 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 116.096 -2.136 . . . . 0.0 112.15 -178.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 -23.99 13.91 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.68 29.98 1.97 Allowed Glycine 0 C--N 1.307 -1.076 0 N-CA-C 106.443 -2.663 . . . . 0.0 106.443 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 56' ' ' SER . 4.4 mmpt? -98.29 -174.55 2.87 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 122.43 1.11 . . . . 0.0 112.445 -176.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.825 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -40.87 -69.95 0.12 Allowed 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.336 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 1.21 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.9 52.34 0.02 OUTLIER 'General case' 0 C--O 1.192 -1.951 0 CA-C-O 117.78 -1.105 . . . . 0.0 111.113 177.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.21 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER 85.55 81.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 122.688 1.233 . . . . 0.0 114.251 179.123 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -126.2 131.24 52.03 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.531 177.575 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.865 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.99 167.29 16.1 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 120.845 -1.159 . . . . 0.0 109.626 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 121.108 -0.995 . . . . 0.0 111.008 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -135.31 152.41 51.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.063 HG22 HG23 ' A' ' 74' ' ' THR . 3.3 t -128.23 158.18 40.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 C-N-CA 117.923 -1.511 . . . . 0.0 110.865 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -90.53 142.69 27.48 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.993 -177.19 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.491 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.6 p-80 -46.14 -31.39 2.37 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.48 -154.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.53 51.63 0.69 Allowed Glycine 0 C--N 1.297 -1.621 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.611 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 42.1 m-20 -129.33 132.04 47.03 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.063 HG23 HG22 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.66 161.84 14.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.058 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.1 m -134.65 104.68 6.15 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.5 m-20 -109.6 146.37 34.84 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.859 -1.151 . . . . 0.0 108.21 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -147.65 147.93 30.52 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.208 -1.397 . . . . 0.0 110.625 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -141.21 165.54 27.25 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 122.165 0.984 . . . . 0.0 110.356 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.897 ' CD2' HG22 ' A' ' 15' ' ' VAL . 54.0 m-85 -133.59 142.26 48.05 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.591 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -165.96 127.9 1.93 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 118.962 -2.336 . . . . 0.0 109.747 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.716 ' N ' ' HB2' ' A' ' 85' ' ' ALA . 1.9 m120 -150.92 -141.44 0.11 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.518 ' HG3' ' N ' ' A' ' 83' ' ' SER . 19.9 pt-20 -104.28 -37.22 7.34 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.518 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 3.5 m -150.67 11.27 0.67 Allowed 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.406 -0.917 . . . . 0.0 111.876 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.7 OUTLIER -123.69 14.19 9.37 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.18 -1.575 . . . . 0.0 107.935 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.716 ' HB2' ' N ' ' A' ' 81' ' ' ASN . . . -92.25 22.71 4.28 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 113.442 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 87' ' ' LYS . 93.8 t -131.11 -95.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 119.368 -2.082 . . . . 0.0 110.541 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 90' ' ' ASP . 6.0 mtmt -35.56 -70.31 0.09 Allowed 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.357 -0.839 . . . . 0.0 111.861 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -35.91 -65.91 0.23 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.981 0.895 . . . . 0.0 109.806 -178.058 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.662 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.8 mmt180 -56.83 -39.62 74.56 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.665 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.5 t0 -54.61 -16.21 2.29 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -94.22 -36.83 11.84 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.875 HG13 HD22 ' A' ' 26' ' ' LEU . 7.0 t -57.77 -55.21 22.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.5 tttm -55.15 -53.01 61.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.585 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 t0 -39.91 -26.69 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.954 HD13 ' HG ' ' A' ' 9' ' ' LEU . 1.3 mt -84.57 -47.81 10.18 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.818 ' O ' HD13 ' A' ' 100' ' ' LEU . 3.0 mt -37.69 -61.01 0.66 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.571 0.7 . . . . 0.0 110.368 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.22 -2.19 9.87 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.913 -178.757 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.76 -31.26 12.74 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.32 -0.863 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.06 -31.97 14.65 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.887 -1.133 . . . . 0.0 109.019 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 96' ' ' LEU . 5.8 mp -47.07 -38.1 12.1 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.7 Cg_exo -68.7 -3.33 11.01 Favored 'Trans proline' 0 C--N 1.301 -1.924 0 O-C-N 124.443 1.759 . . . . 0.0 111.487 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 3.6 tttt -87.34 -42.88 12.55 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.205 -0.934 . . . . 0.0 111.774 -178.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -109.5 -0.63 18.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.409 -0.807 . . . . 0.0 110.249 -176.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -154.7 102.69 2.39 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 14.5 ttp180 -160.12 66.01 0.35 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.276 -0.89 . . . . 0.0 109.41 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -62.02 134.45 56.64 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.166 -0.959 . . . . 0.0 109.42 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.54 22.88 0.23 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.242 -0.911 . . . . 0.0 109.373 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.305 -1.353 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.472 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.15 140.5 51.92 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.231 -0.918 . . . . 0.0 109.367 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 m -115.86 -35.88 4.33 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.205 -0.934 . . . . 0.0 109.527 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -134.43 -144.56 0.22 Allowed 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.21 -0.931 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -104.1 -81.26 0.52 Allowed 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.59 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 mp0 -69.17 161.83 28.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.164 -0.96 . . . . 0.0 109.799 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.93 110.28 16.1 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.2 m -99.0 155.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 120.261 -1.524 . . . . 0.0 108.959 -178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 95' ' ' LEU . 18.2 tp -99.08 -40.83 7.82 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.318 -0.953 . . . . 0.0 113.182 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 10.3 tp -167.05 163.86 15.85 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 119.095 -2.253 . . . . 0.0 111.757 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.25 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.941 HG21 ' HE2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -126.26 101.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 CA-C-O 122.323 1.059 . . . . 0.0 110.804 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.797 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -51.71 -18.32 1.18 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.057 179.245 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.0 tptt -115.17 114.79 25.74 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.956 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.1 t -150.64 147.61 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 C-N-CA 118.003 -1.479 . . . . 0.0 110.227 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 11.6 tpp180 -125.35 128.98 49.02 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.743 ' NE2' ' CZ2' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -134.55 138.44 44.62 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.39 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.005 -0.434 . . . . 0.0 111.447 -174.224 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.635 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -81.13 -56.83 3.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.376 -1.453 . . . . 0.0 109.705 177.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.2 mm-40 -151.66 169.01 23.21 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.845 0.831 . . . . 0.0 111.218 -173.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.51 133.05 50.9 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 100.366 -3.939 . . . . 0.0 100.366 176.492 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.19 36.18 Favored Glycine 0 C--N 1.294 -1.768 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.79 137.38 33.22 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 122.804 1.288 . . . . 0.0 109.104 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.112 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -108.32 134.66 50.83 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.377 -175.018 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.694 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.1 m-85 -110.99 137.53 48.5 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 99' ' ' LEU . 7.1 tt -119.22 136.38 54.24 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 119.92 -1.738 . . . . 0.0 107.305 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.762 ' CE ' HG12 ' A' ' 8' ' ' VAL . 7.8 ttt -129.85 142.89 50.6 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -42.14 -56.79 2.74 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.115 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.521 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.3 tp10 -86.07 -8.86 57.6 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.919 -175.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -160.62 162.95 32.93 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.33 -2.106 . . . . 0.0 111.882 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -109.72 128.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -113.53 155.68 24.94 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.344 -0.848 . . . . 0.0 110.512 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.94 ' O ' HG22 ' A' ' 42' ' ' THR . 25.9 t90 -138.16 140.81 40.01 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.813 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.931 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.62 135.83 10.12 Favored Pre-proline 0 C--N 1.294 -1.836 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.821 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER -111.47 -56.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.285 0 O-C-N 123.888 1.467 . . . . 0.0 108.522 177.378 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.35 94.36 1.08 Allowed 'General case' 0 C--N 1.308 -1.219 0 O-C-N 121.514 -0.741 . . . . 0.0 109.145 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 -166.62 14.32 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.164 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.47 -22.37 12.57 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.251 -1.147 . . . . 0.0 109.789 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -72.42 156.79 38.68 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.624 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.8 mpt_? -47.72 -26.85 1.71 Allowed 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 122.02 0.914 . . . . 0.0 108.722 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.931 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -160.04 -175.9 5.36 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.761 0.791 . . . . 0.0 109.851 178.079 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 1.006 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.3 t -91.54 -37.62 13.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.759 -0.588 . . . . 0.0 109.61 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.006 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -142.69 171.72 9.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 O-C-N 120.93 -1.107 . . . . 0.0 109.836 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -162.03 115.22 1.8 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.585 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.724 ' CE1' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 120.889 -1.132 . . . . 0.0 110.266 -178.75 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.07 108.82 3.71 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -39.15 -41.75 0.87 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.743 -0.598 . . . . 0.0 110.846 -178.395 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . . . -66.18 -46.23 78.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.159 -1.588 . . . . 0.0 108.229 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' MET . 3.0 m-20 -47.29 -31.39 3.79 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.0 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.9 pp -109.55 153.32 11.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.386 -177.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.63 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 9.1 tptt -144.57 102.99 3.89 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 117.489 -1.684 . . . . 0.0 110.907 177.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.873 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.19 128.72 0.02 OUTLIER 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.179 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 67' ' ' LEU . 10.6 mm-40 -144.09 125.27 14.57 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 117.755 -1.578 . . . . 0.0 110.84 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -141.42 111.82 6.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 54' ' ' LYS . 1.6 mp -126.27 102.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.673 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -119.4 19.49 0.08 OUTLIER Pre-proline 0 C--N 1.301 -1.542 0 O-C-N 121.365 -0.835 . . . . 0.0 111.89 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 56' ' ' SER . 1.9 Cg_endo -63.5 -10.2 20.88 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 115.696 -2.403 . . . . 0.0 110.812 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -22.59 3.95 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.319 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.07 17.49 2.34 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.61 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 6.1 mmtm -79.93 -122.52 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.647 -1.502 . . . . 0.0 110.833 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.591 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -121.31 -46.17 2.3 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 120.775 -1.203 . . . . 0.0 110.513 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -159.49 44.24 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 118.309 -1.356 . . . . 0.0 112.447 -179.68 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.93 HD13 ' C ' ' A' ' 89' ' ' ARG 0.326 0.0 OUTLIER 75.31 83.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 123.859 1.79 . . . . 0.0 113.041 178.971 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -124.01 134.65 53.4 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.887 -1.96 . . . . 0.0 108.232 178.57 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.58 163.56 23.14 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.542 -1.349 . . . . 0.0 110.06 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -146.09 131.61 18.76 Favored 'General case' 0 C--N 1.314 -0.94 0 O-C-N 121.301 -0.875 . . . . 0.0 111.218 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.0 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -136.27 150.21 48.83 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -178.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 74' ' ' THR . 2.0 t -128.3 157.82 40.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 123.268 1.508 . . . . 0.0 111.405 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -90.07 146.66 24.16 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.558 -176.561 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.63 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 80.7 m-70 -45.6 -32.5 2.36 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.33 -154.28 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.373 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.81 51.79 0.68 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.1 t0 -128.79 128.67 44.42 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 68' ' ' VAL . 6.6 m -108.5 163.28 13.36 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 9.7 m -128.14 112.5 14.62 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -109.45 136.09 49.42 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.112 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -145.72 143.96 30.07 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.74 ' NE2' ' HG2' ' A' ' 62' ' ' LYS . 60.8 t-80 -141.4 164.06 31.25 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.144 0.973 . . . . 0.0 110.89 -177.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.941 ' HE2' HG21 ' A' ' 12' ' ' VAL . 22.5 m-85 -123.59 130.17 52.26 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -179.04 -21.93 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.063 0 O-C-N 118.55 -2.593 . . . . 0.0 110.935 178.367 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.581 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -28.84 -90.55 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.909 -0.494 . . . . 0.0 111.424 -176.657 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' O ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -60.62 -114.25 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.584 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -150.1 88.34 1.52 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.643 ' HG1' ' CD ' ' A' ' 88' ' ' GLU . 1.5 t -150.3 10.67 0.68 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 109.582 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -67.69 78.96 0.19 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 122.811 1.291 . . . . 0.0 108.753 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.731 HG22 ' OE2' ' A' ' 88' ' ' GLU . 13.1 m -150.98 -143.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.583 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -40.48 -56.23 2.1 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 121.447 -0.783 . . . . 0.0 110.873 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.731 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -38.95 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.236 1.017 . . . . 0.0 110.443 -179.477 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.93 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.6 mmt180 -56.65 -42.27 78.65 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 87' ' ' LYS . 4.0 t70 -54.86 -13.05 0.93 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.583 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -95.55 -37.94 10.65 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.908 HG21 HG11 ' A' ' 12' ' ' VAL . 13.4 t -58.19 -50.97 76.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 ttpp -56.86 -50.87 71.16 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . 35.7 t70 -41.08 -29.18 0.11 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.2 mt -85.06 -43.72 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.902 ' HA ' HD11 ' A' ' 99' ' ' LEU . 20.7 mt -38.67 -66.13 0.3 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.223 1.011 . . . . 0.0 110.186 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.852 ' HA ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -60.79 -2.08 0.5 Allowed 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.514 -0.741 . . . . 0.0 110.671 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -103.3 -23.79 13.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.955 -1.091 . . . . 0.0 110.167 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -92.6 -34.98 13.8 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 120.85 -1.156 . . . . 0.0 109.437 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -48.87 -36.26 12.61 Favored Pre-proline 0 C--N 1.305 -1.334 0 C-N-CA 118.559 -1.257 . . . . 0.0 108.385 -178.06 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD3' ' CG ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -70.58 -11.04 29.13 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.287 1.677 . . . . 0.0 111.424 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.49 -47.64 19.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 111.164 -178.543 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.72 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -101.83 5.53 41.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.568 -0.708 . . . . 0.0 110.408 -177.225 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HG2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -126.56 20.63 7.23 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.036 -1.04 . . . . 0.0 109.512 179.225 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -144.19 -2.06 0.91 Allowed 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.665 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.8 164.96 27.62 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 120.812 -1.18 . . . . 0.0 109.588 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.28 -16.84 20.15 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.6 t30 . . . . . 0 C--N 1.305 -1.355 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.439 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.319 0.58 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.77 -65.51 0.55 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.2 -0.938 . . . . 0.0 109.446 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -54.24 134.58 44.78 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.262 -0.899 . . . . 0.0 109.5 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 3' ' ' THR . 1.2 m -56.5 -162.6 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.565 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -119.61 -57.28 1.99 Allowed 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.143 -0.973 . . . . 0.0 109.868 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.493 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 14.4 tp10 -66.15 163.6 17.31 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.295 1.045 . . . . 0.0 110.272 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 2.9 mt-10 -119.65 110.95 17.44 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.148 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 ' SD ' ' A' ' 27' ' ' MET . 2.6 m -98.91 155.39 3.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.64 -1.288 . . . . 0.0 109.618 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 33.5 tp -98.46 -28.92 13.4 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 112.813 -176.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' LEU . 29.5 tp -177.48 145.13 0.42 Allowed 'General case' 0 C--O 1.208 -1.113 0 O-C-N 119.283 -2.136 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.686 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.1 141.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.38 -0.825 . . . . 0.0 109.675 179.568 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.7 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.8 OUTLIER -116.67 103.92 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 121.911 0.862 . . . . 0.0 108.949 178.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.73 -18.79 9.05 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.242 1.02 . . . . 0.0 110.241 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.4 tptp -113.61 118.65 34.99 Favored 'General case' 0 C--N 1.278 -2.513 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.063 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 24' ' ' LEU . 4.9 t -151.07 148.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.361 174.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 2.1 ttm180 -122.86 146.11 47.85 Favored 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.729 ' NE2' ' CE2' ' A' ' 33' ' ' TRP . 12.4 pt20 -148.25 133.87 18.8 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.72 -23.64 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.196 0 O-C-N 121.766 -0.584 . . . . 0.0 111.116 -174.531 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -79.54 -55.36 5.1 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.561 -1.337 . . . . 0.0 110.181 178.102 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.641 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 45.7 mm-40 -151.75 168.7 24.21 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.527 0.68 . . . . 0.0 110.196 -175.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -105.97 128.42 53.8 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 101.924 -3.362 . . . . 0.0 101.924 176.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.559 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.67 165.77 35.79 Favored Glycine 0 C--N 1.299 -1.492 0 C-N-CA 119.902 -1.142 . . . . 0.0 111.355 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.27 131.9 34.68 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 123.287 1.517 . . . . 0.0 111.138 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.048 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -107.57 135.46 48.99 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.367 -1.742 . . . . 0.0 108.499 -175.691 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.68 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 3.6 m-85 -115.75 136.35 53.14 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 27' ' ' MET . 1.5 tt -112.91 132.03 55.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.138 -1.601 . . . . 0.0 106.754 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.697 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.2 ttp -122.73 152.25 40.77 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.71 -55.19 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.03 -0.419 . . . . 0.0 110.906 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 tt0 -104.7 -0.41 27.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.42 -1.425 . . . . 0.0 112.389 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -155.29 162.65 40.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 119.191 -2.193 . . . . 0.0 113.427 -178.773 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.576 HG13 ' CE1' ' A' ' 47' ' ' TYR . 1.2 mt -109.65 131.71 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.415 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -115.72 160.72 19.7 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.944 0.878 . . . . 0.0 110.761 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 21.4 t90 -136.53 145.41 45.03 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.322 1.058 . . . . 0.0 110.942 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 40' ' ' ARG . . . -150.9 104.68 3.02 Favored Pre-proline 0 C--N 1.29 -1.995 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.796 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 33' ' ' TRP . 1.5 Cg_endo -70.54 164.02 36.81 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.193 1.628 . . . . 0.0 110.587 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' A' ' 37' ' ' GLY . 18.9 mt-10 -65.72 -6.07 10.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.462 -0.774 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' C ' ' CG ' ' A' ' 38' ' ' LYS . . . -41.36 -94.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -157.46 -56.94 0.08 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.91 -1.347 . . . . 0.0 110.179 -179.567 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -53.63 82.03 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.401 -0.812 . . . . 0.0 111.685 -178.312 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.719 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -17.47 -46.07 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.291 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 39' ' ' ASP . 10.2 m-85 -111.23 146.29 37.21 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.568 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -125.78 -46.58 1.71 Allowed 'General case' 0 C--N 1.31 -1.112 0 O-C-N 121.457 -0.777 . . . . 0.0 109.849 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.651 HD12 ' NE2' ' A' ' 45' ' ' HIS . 2.7 pt -150.61 177.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 118.905 -1.118 . . . . 0.0 112.454 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -168.83 114.3 0.6 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.651 ' NE2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.12 120.1 41.5 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.814 -1.179 . . . . 0.0 110.024 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.538 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -65.64 104.43 1.03 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.695 -0.628 . . . . 0.0 109.601 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.023 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -29.04 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.194 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -66.82 -46.17 76.02 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.123 -1.61 . . . . 0.0 108.874 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' MET . 76.3 m-20 -62.32 -12.38 20.65 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -111.33 118.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' CE ' ' HB3' ' A' ' 104' ' ' LYS . 24.5 tptp -137.9 102.72 4.79 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 116.154 -2.219 . . . . 0.0 112.064 178.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.876 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 171.92 125.63 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.555 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.869 ' HG3' HD13 ' A' ' 100' ' ' LEU . 1.8 mt-30 -142.51 122.65 13.75 Favored 'General case' 0 C--N 1.281 -2.38 0 C-N-CA 116.947 -1.901 . . . . 0.0 111.575 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -131.91 113.66 13.71 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.395 -1.729 . . . . 0.0 108.094 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.718 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.0 pp -112.08 103.02 14.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.868 -1.145 . . . . 0.0 109.317 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.656 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -118.33 28.14 0.13 Allowed Pre-proline 0 C--N 1.304 -1.411 0 O-C-N 121.175 -0.953 . . . . 0.0 112.501 -179.656 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.7 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 3.9 Cg_exo -86.09 47.34 1.8 Allowed 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 114.977 -2.882 . . . . 0.0 110.367 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -92.7 -27.39 17.29 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.2 40.1 1.37 Allowed Glycine 0 CA--C 1.532 1.117 0 N-CA-C 107.422 -2.271 . . . . 0.0 107.422 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 2.4 mmtt -97.91 -139.05 0.29 Allowed 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.675 -0.897 . . . . 0.0 109.057 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -98.37 -25.99 14.63 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.641 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -171.47 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.356 1.074 . . . . 0.0 109.675 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.732 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -158.28 84.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.346 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -175.687 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -109.12 131.25 55.25 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.916 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.08 165.98 14.55 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.802 -1.186 . . . . 0.0 111.313 -178.538 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -133.7 130.44 38.16 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.784 0.802 . . . . 0.0 110.529 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.072 HD21 HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -134.46 130.37 36.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.0 t -109.95 158.37 10.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 122.955 1.359 . . . . 0.0 110.334 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -88.33 147.79 24.6 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.625 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 9.5 m-70 -46.9 -31.43 3.11 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -77.89 -149.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.095 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 52.94 0.6 Allowed Glycine 0 C--N 1.302 -1.354 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.586 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 m-20 -127.98 141.06 51.63 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.235 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -109.02 155.07 21.33 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.829 0.824 . . . . 0.0 109.546 -178.826 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -130.71 104.41 7.17 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -110.91 139.44 46.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.788 -1.195 . . . . 0.0 109.512 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 1.048 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.79 153.73 44.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.625 1.203 . . . . 0.0 111.013 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.697 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -135.28 168.96 18.21 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.678 -1.147 . . . . 0.0 109.104 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.056 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 91.4 m-85 -135.74 148.79 48.96 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.331 -0.856 . . . . 0.0 109.613 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.601 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 t -177.05 117.62 0.11 Allowed 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.244 177.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.797 ' H ' ' HB2' ' A' ' 85' ' ' ALA . 8.3 m120 -136.44 146.08 45.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 83' ' ' SER . 9.3 pt-20 -43.19 -32.96 0.82 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.55 -0.719 . . . . 0.0 109.532 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -143.02 7.56 1.62 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 0.0 111.22 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 84' ' ' THR . 1.2 m -122.46 31.55 6.08 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.496 -1.377 . . . . 0.0 107.417 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.797 ' HB2' ' H ' ' A' ' 81' ' ' ASN . . . -93.1 28.54 2.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.71 -1.244 . . . . 0.0 113.611 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 87' ' ' LYS . 29.0 m -142.34 -123.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 119.279 -2.138 . . . . 0.0 112.62 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 tttt -34.21 -51.88 0.45 Allowed 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.494 -0.753 . . . . 0.0 110.722 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -41.68 -61.06 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.016 0.913 . . . . 0.0 109.767 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 1.9 mmp_? -64.52 -48.51 74.85 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 9.9 t0 -37.96 -45.23 0.86 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -66.97 -48.94 66.96 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.056 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 24.4 t -41.18 -58.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.636 ' CB ' HD11 ' A' ' 63' ' ' ILE . 11.0 ttpp -63.79 -31.8 73.1 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 91' ' ' ALA . 3.6 t70 -64.04 -13.6 48.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 95' ' ' LEU . 2.5 mm? -99.8 -47.12 5.16 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.3 mt -45.26 -66.09 0.45 Allowed 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.704 -0.622 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' OE1' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -62.23 -1.77 0.82 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.941 -1.099 . . . . 0.0 110.807 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.448 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -94.06 -38.66 11.02 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.861 -1.149 . . . . 0.0 109.199 179.635 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.11 -27.69 32.68 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 121.118 -0.989 . . . . 0.0 108.469 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.869 HD13 ' HG3' ' A' ' 53' ' ' GLN . 4.3 tp -43.65 -33.84 1.07 Allowed Pre-proline 0 C--N 1.31 -1.15 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 40.7 Cg_exo -76.27 -34.79 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.651 1.869 . . . . 0.0 110.537 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -49.23 -35.05 16.34 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.592 -0.692 . . . . 0.0 110.875 -179.474 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -118.33 -3.42 10.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.082 -178.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' A' ' 103' ' ' PHE . 8.4 mmtp -143.89 88.38 1.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.356 -0.84 . . . . 0.0 109.652 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -118.72 -55.81 2.17 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.058 -1.026 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -99.46 -165.43 1.23 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.289 -0.882 . . . . 0.0 109.527 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -139.9 -91.42 0.17 Allowed 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.265 -0.897 . . . . 0.0 109.395 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 C--N 1.305 -1.327 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.414 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 26' ' ' LEU . 3.4 p . . . . . 0 C--O 1.215 -0.752 0 CA-C-O 121.502 0.668 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD23 HD21 ' A' ' 26' ' ' LEU . 61.8 tp -99.13 -51.34 3.86 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.424 -0.797 . . . . 0.0 112.504 -177.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 52.6 tp -158.79 160.4 36.24 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 119.58 -1.95 . . . . 0.0 110.626 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -139.48 139.27 39.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 O-C-N 121.305 -0.872 . . . . 0.0 109.358 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 92' ' ' VAL . 9.8 m -122.0 102.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.927 0.87 . . . . 0.0 109.498 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.67 -18.56 12.65 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.844 0.83 . . . . 0.0 110.998 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -116.08 117.52 30.33 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.522 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.987 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.81 149.8 13.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.134 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -123.81 131.23 53.55 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.633 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 10.7 pt20 -138.63 136.62 36.12 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLN . 39.3 mttp -36.47 -23.69 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.91 -0.494 . . . . 0.0 111.095 -174.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -79.54 -57.51 3.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.524 -1.36 . . . . 0.0 109.65 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.631 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -151.92 169.34 22.54 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.689 0.757 . . . . 0.0 111.015 -174.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -105.55 129.76 53.75 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 100.265 -3.976 . . . . 0.0 100.265 176.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.605 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.73 165.99 35.92 Favored Glycine 0 C--N 1.296 -1.688 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.37 138.24 32.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 123.304 1.526 . . . . 0.0 110.561 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.111 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.3 mt -108.03 130.31 55.08 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.231 -1.804 . . . . 0.0 110.141 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.669 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -112.69 134.69 54.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.762 HD21 HD23 ' A' ' 9' ' ' LEU . 6.9 tp -114.74 130.74 56.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.575 -1.953 . . . . 0.0 107.439 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.552 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.72 153.57 31.13 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -38.23 -56.05 1.25 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.75 -0.594 . . . . 0.0 111.293 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tt0 -103.95 8.84 36.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.195 -1.566 . . . . 0.0 112.373 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG2' ' HB3' ' A' ' 27' ' ' MET . 0.3 OUTLIER -157.86 165.2 35.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 119.403 -2.06 . . . . 0.0 112.918 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -111.67 124.38 68.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.679 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -109.97 156.95 19.81 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.117 -0.989 . . . . 0.0 111.248 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 23.5 t90 -135.79 145.61 46.71 Favored 'General case' 0 C--O 1.199 -1.592 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.343 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.81 162.09 28.11 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.701 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.3 Cg_endo . . . . . 0 C--N 1.312 -1.377 0 O-C-N 123.918 1.483 . . . . 0.0 108.419 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 33' ' ' TRP . 1.5 t . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 121.17 0.509 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.758 HG23 HG23 ' A' ' 42' ' ' THR . 1.2 pp -147.51 177.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 O-C-N 121.189 -0.944 . . . . 0.0 111.258 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -166.68 119.9 1.03 Allowed 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.637 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.3 118.64 37.23 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 120.885 -1.135 . . . . 0.0 109.043 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.54 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -67.52 118.68 11.16 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.766 0.793 . . . . 0.0 110.259 -179.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.921 ' CE2' HD13 ' A' ' 99' ' ' LEU . 8.0 m-30 -40.61 -46.44 2.55 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.86 -0.525 . . . . 0.0 110.207 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -32.31 71.37 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.177 -1.577 . . . . 0.0 108.585 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 1.3 m-20 -68.94 -4.31 16.14 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.448 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 67' ' ' LEU . 36.4 pt -138.87 142.35 34.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.513 -0.742 . . . . 0.0 109.23 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 52' ' ' CYS . 21.6 tptp -144.67 103.56 3.94 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 119.413 -2.054 . . . . 0.0 112.961 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.661 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 10.5 t 172.61 132.01 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.779 ' NE2' HD13 ' A' ' 100' ' ' LEU . 37.4 mt-30 -144.0 125.17 14.54 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 117.359 -1.736 . . . . 0.0 111.439 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.669 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.196 -1.741 0 CA-C-O 118.867 -0.587 . . . . 0.0 112.05 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.799 HD11 ' HG3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER 89.19 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 123.196 1.474 . . . . 0.0 114.405 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.504 ' HB3' ' HD2' ' A' ' 78' ' ' HIS . 2.4 pt20 -129.45 129.83 45.13 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.021 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.782 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.1 165.47 12.87 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.883 -1.136 . . . . 0.0 110.069 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.92 132.03 20.43 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.386 -0.822 . . . . 0.0 110.735 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -136.96 151.84 49.47 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -125.76 158.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.296 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.892 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.68 143.35 26.82 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.655 -177.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.0 p80 -45.47 -31.67 1.85 Allowed 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -73.38 -153.71 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.44 51.8 0.68 Allowed Glycine 0 C--N 1.298 -1.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.626 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -129.61 132.77 46.85 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.455 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.093 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.41 162.93 13.48 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -133.61 107.1 7.78 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 3.4 m-20 -110.41 138.05 47.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.901 -1.124 . . . . 0.0 108.191 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.111 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.64 150.86 40.8 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.09 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.652 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 61.8 t-80 -143.08 152.74 42.19 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.451 1.119 . . . . 0.0 111.015 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 22.6 m-85 . . . . . 0 C--N 1.286 -2.174 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.216 -0.703 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.26 -140.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 O-C-N 121.2 -0.938 . . . . 0.0 112.012 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 mttm -35.01 -53.5 0.58 Allowed 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.732 -0.605 . . . . 0.0 111.924 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -38.58 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 122.989 1.376 . . . . 0.0 109.693 -179.251 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.799 ' HG3' HD11 ' A' ' 63' ' ' ILE . 6.2 mmt180 -59.3 -41.17 88.35 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 3.8 t0 -40.95 -59.02 1.55 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.551 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -61.56 -36.09 79.63 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.405 -0.809 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 38.9 t -49.52 -67.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.658 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -49.45 -48.89 47.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.551 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 16.9 t0 -44.85 -24.37 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.745 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 98' ' ' GLN . 4.1 mt -82.01 -50.36 9.2 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.9 mt -38.04 -63.8 0.45 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.744 0.783 . . . . 0.0 110.289 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -66.03 -4.21 6.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.466 -0.771 . . . . 0.0 110.096 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.8 -35.9 16.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.921 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.42 -25.71 22.52 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.056 -1.028 . . . . 0.0 108.366 178.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 tp -44.62 -29.17 0.49 Allowed Pre-proline 0 C--N 1.298 -1.67 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.0 Cg_exo -76.78 -4.69 15.23 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 O-C-N 124.35 1.711 . . . . 0.0 112.499 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 99' ' ' LEU . 7.9 mttt -86.88 -45.07 11.19 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 120.688 -1.257 . . . . 0.0 111.238 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 2.4 p90 . . . . . 0 C--N 1.297 -1.712 0 O-C-N 121.501 -0.749 . . . . 0.0 109.72 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.732 HG12 ' SD ' ' A' ' 27' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.215 -0.72 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CD2' ' A' ' 95' ' ' LEU . 23.4 tp -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.153 -1.019 . . . . 0.0 113.578 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.64 ' H ' HD23 ' A' ' 26' ' ' LEU . 24.5 tp -176.1 162.02 2.46 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.099 -2.25 . . . . 0.0 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.23 141.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 121.609 -0.682 . . . . 0.0 110.383 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.973 HG22 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -103.3 136.72 34.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -88.12 -34.18 17.98 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 116.434 2.013 . . . . 0.0 116.434 -173.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HD3' ' HD2' ' A' ' 13' ' ' LYS . 1.6 tptp -132.39 100.12 4.89 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 115.743 -2.383 . . . . 0.0 111.733 172.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 24' ' ' LEU . 21.8 t -109.54 161.54 7.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-O 122.873 1.32 . . . . 0.0 112.045 -174.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -124.03 122.0 36.73 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.482 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.5 pt20 -127.61 142.61 51.31 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.44 -21.03 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 122.146 -0.346 . . . . 0.0 111.843 -173.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -93.25 -53.16 4.22 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.221 -1.549 . . . . 0.0 110.686 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.62 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -151.56 169.2 22.68 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.549 0.69 . . . . 0.0 110.587 -174.061 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.94 135.51 47.25 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 101.465 -3.532 . . . . 0.0 101.465 177.1 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.7 166.1 35.94 Favored Glycine 0 C--N 1.295 -1.727 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -176.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.58 138.71 33.25 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.283 -1.716 . . . . 0.0 107.208 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.013 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.38 134.42 51.21 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.127 -174.215 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-85 -115.85 136.27 53.2 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.38 139.33 51.01 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.732 ' SD ' HG12 ' A' ' 8' ' ' VAL . 6.2 ttt -136.95 150.62 48.28 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.59 -57.75 0.93 Allowed 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.37 0.605 . . . . 0.0 110.235 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.6 tp10 -87.23 -12.43 46.77 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.581 ' NH2' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -163.31 166.39 23.11 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.026 -2.296 . . . . 0.0 113.046 -179.307 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.615 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 mm -109.87 131.31 61.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.07 148.23 43.85 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.79 -1.194 . . . . 0.0 110.458 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.872 ' N ' HG22 ' A' ' 43' ' ' ILE . 24.7 t90 -125.26 136.54 53.63 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.52 165.24 17.97 Favored Pre-proline 0 C--N 1.298 -1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 111.72 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.4 Cg_endo . . . . . 0 C--N 1.316 -1.168 0 O-C-N 124.04 1.547 . . . . 0.0 108.772 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.872 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -137.82 161.4 33.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-O 121.855 0.836 . . . . 0.0 111.285 -178.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 24.2 p -168.69 102.52 0.4 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.868 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.37 120.04 41.31 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.164 -0.96 . . . . 0.0 108.71 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 2.4 mtt -69.12 115.13 8.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.685 0.755 . . . . 0.0 110.302 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.895 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.5 m-30 -40.62 -43.63 1.95 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.673 -0.642 . . . . 0.0 110.733 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.4 -37.14 77.38 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.895 -1.753 . . . . 0.0 108.159 177.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 2.2 m-20 -65.49 -3.32 4.24 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.478 -1.237 . . . . 0.0 109.944 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.974 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -139.09 138.25 41.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.5 -0.75 . . . . 0.0 109.49 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -147.07 103.89 3.64 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 116.638 -2.025 . . . . 0.0 112.907 178.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.649 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 6.5 t 173.17 132.0 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HG2' HD22 ' A' ' 100' ' ' LEU . 27.9 mp0 -143.84 123.5 13.31 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.151 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.556 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.947 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.842 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.039 HD13 ' C ' ' A' ' 89' ' ' ARG 0.334 0.0 OUTLIER 79.46 83.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.702 1.715 . . . . 0.0 112.255 179.911 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 3.2 pt20 -123.76 132.52 53.82 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 113.948 -1.478 . . . . 0.0 107.364 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.855 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -130.01 163.8 25.68 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.337 -1.477 . . . . 0.0 111.389 -178.753 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG2' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -148.03 125.51 11.68 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.675 0.75 . . . . 0.0 110.009 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.974 HD21 ' HB ' ' A' ' 50' ' ' ILE . 3.9 tt -130.61 154.84 47.45 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.066 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -127.66 157.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 117.611 -1.635 . . . . 0.0 111.623 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -88.41 147.31 24.77 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.579 -176.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.506 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 61.0 m-70 -46.86 -30.96 2.76 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.77 -154.42 0.08 Allowed 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.574 -1.194 . . . . 0.0 107.952 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.41 52.14 0.66 Allowed Glycine 0 C--N 1.298 -1.555 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.61 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 5.2 m-20 -128.23 130.71 48.37 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.066 HG23 HG22 ' A' ' 68' ' ' VAL . 3.0 m -108.02 164.53 12.2 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 29.3 m -130.69 109.98 11.03 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 2.0 m-20 -109.83 138.29 46.4 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.003 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.99 144.47 32.33 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.94 -179.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 35.4 t-80 -144.98 156.87 44.2 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.67 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.792 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.612 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.214 -0.796 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 87' ' ' LYS . 10.5 m -153.09 -141.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.388 -1.445 . . . . 0.0 112.518 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -34.57 -45.73 0.25 Allowed 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.954 -0.466 . . . . 0.0 110.348 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -45.28 -72.63 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.821 1.296 . . . . 0.0 108.957 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 1.039 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -63.63 -54.94 28.0 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -52.07 -12.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.248 -0.908 . . . . 0.0 110.514 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.027 ' O ' HD12 ' A' ' 95' ' ' LEU . . . -96.65 -34.81 11.25 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.793 -1.192 . . . . 0.0 109.709 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.973 HG11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.47 -40.12 77.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.035 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.835 ' HB2' HD12 ' A' ' 63' ' ' ILE . 4.6 ttpt -63.41 -60.83 2.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.523 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 44.8 t0 -43.01 -23.59 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.027 HD12 ' O ' ' A' ' 91' ' ' ALA . 1.2 mt -89.38 -43.61 10.78 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.031 -1.043 . . . . 0.0 108.225 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -41.05 -59.3 1.51 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.07 0.938 . . . . 0.0 109.889 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.665 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.5 -0.68 5.31 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 110.076 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.56 -39.11 13.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.895 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.13 -24.03 30.43 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.159 -0.963 . . . . 0.0 108.924 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 ' CE2' ' A' ' 103' ' ' PHE . 13.7 mt -44.75 -52.25 19.08 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 34.8 Cg_exo -46.8 -39.23 23.93 Favored 'Trans proline' 0 C--N 1.297 -2.144 0 O-C-N 124.33 1.7 . . . . 0.0 110.867 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -49.4 -41.78 40.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.598 -0.689 . . . . 0.0 112.554 -178.193 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.448 0 O-C-N 120.755 -1.216 . . . . 0.0 110.273 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.672 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.823 HD21 ' CD1' ' A' ' 95' ' ' LEU . 24.2 tp -98.67 -39.09 8.85 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.937 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 HG13 ' A' ' 12' ' ' VAL . 5.8 tt -168.19 152.41 6.17 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.445 -2.034 . . . . 0.0 110.423 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.734 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -127.4 137.06 58.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.3 -0.875 . . . . 0.0 109.099 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.968 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -122.68 96.87 4.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 122.303 1.049 . . . . 0.0 109.082 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.72 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.79 -18.94 9.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.016 0.912 . . . . 0.0 110.262 179.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.4 tptt -113.87 116.73 29.76 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.091 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.33 146.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 118.131 -1.427 . . . . 0.0 109.215 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.622 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -122.08 139.97 53.09 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.686 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 6.8 pt20 -145.14 137.29 25.8 Favored 'General case' 0 C--N 1.279 -2.474 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -36.72 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.848 -0.532 . . . . 0.0 110.923 -174.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 17' ' ' GLN . 10.2 ptmt -81.5 -58.42 3.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.65 -1.281 . . . . 0.0 110.518 178.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.686 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.1 169.1 22.66 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 0.0 110.815 -174.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.622 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -105.84 129.85 53.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 101.451 -3.537 . . . . 0.0 101.451 176.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.05 166.29 36.25 Favored Glycine 0 C--N 1.298 -1.58 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.55 133.17 34.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 123.292 1.52 . . . . 0.0 110.451 -177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -107.86 132.61 53.27 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 113.113 -1.858 . . . . 0.0 109.547 -175.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CE1' HG13 ' A' ' 11' ' ' ILE . 13.6 m-85 -111.25 133.34 53.67 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -112.84 133.62 54.74 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.755 -1.841 . . . . 0.0 108.379 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.672 ' CE ' HG12 ' A' ' 8' ' ' VAL . 5.0 ttm -120.41 146.44 46.2 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.97 -58.21 2.91 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.182 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 4.0 tt0 -87.19 -2.11 58.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.456 -0.777 . . . . 0.0 112.948 -175.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.595 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -161.36 165.54 28.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.146 -2.221 . . . . 0.0 112.557 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.652 HG22 ' CD2' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -109.07 141.13 25.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -130.43 144.22 51.26 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.953 -1.092 . . . . 0.0 110.995 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.869 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 13.0 t90 -121.56 142.39 50.13 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.236 -0.985 . . . . 0.0 110.746 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.87 116.67 3.29 Favored Pre-proline 0 C--N 1.298 -1.648 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.419 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.658 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.1 Cg_endo . . . . . 0 C--N 1.312 -1.37 0 O-C-N 123.921 1.485 . . . . 0.0 109.043 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.681 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 120.885 0.374 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.869 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.8 156.16 6.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 C-N-CA 118.789 -1.164 . . . . 0.0 111.791 -179.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 62.5 m -164.18 101.48 0.86 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.508 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.842 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.19 115.98 30.7 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 121.17 -0.957 . . . . 0.0 108.88 178.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.595 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -69.01 118.11 11.51 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.874 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.3 m-30 -41.3 -44.67 2.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.817 -0.552 . . . . 0.0 109.712 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.86 76.42 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 119.712 -1.868 . . . . 0.0 108.127 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 22.7 m-20 -68.29 -3.81 12.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.996 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.089 HD13 ' CD2' ' A' ' 67' ' ' LEU . 2.7 pp -144.66 142.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.461 -0.774 . . . . 0.0 109.217 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HD2' ' C ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -143.27 103.78 4.18 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 119.112 -2.243 . . . . 0.0 112.299 178.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.903 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.08 134.41 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.987 ' CG ' HD11 ' A' ' 100' ' ' LEU . 3.2 mm-40 -143.58 122.7 12.9 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 117.823 -1.551 . . . . 0.0 110.963 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.663 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.301 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.754 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.2 -1.536 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.857 HD13 ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 83.65 71.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-O 123.649 1.69 . . . . 0.0 113.407 177.584 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.45 133.72 55.07 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.383 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.896 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.49 165.62 14.71 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.939 -1.101 . . . . 0.0 110.124 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -140.87 136.9 32.8 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.904 0.859 . . . . 0.0 110.694 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.089 ' CD2' HD13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -140.62 148.7 41.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.2 t -126.7 157.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 123.336 1.541 . . . . 0.0 110.94 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -92.11 144.1 25.77 Favored 'General case' 0 C--N 1.277 -2.554 0 CA-C-N 113.549 -1.66 . . . . 0.0 109.046 -177.182 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.7 p80 -46.66 -30.48 2.36 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.42 -153.38 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.95 53.75 0.57 Allowed Glycine 0 C--N 1.292 -1.865 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.629 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 25.8 m-20 -129.42 131.64 46.81 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.086 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.04 165.12 11.59 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.634 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.5 m -140.82 105.86 4.98 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 3.1 m-20 -109.17 144.04 37.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -147.58 146.43 29.39 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.967 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.686 ' O ' HG13 ' A' ' 15' ' ' VAL . 60.1 t-80 -136.6 157.91 45.68 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.448 1.118 . . . . 0.0 110.911 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.968 ' HE2' HG21 ' A' ' 12' ' ' VAL . 54.4 m-85 . . . . . 0 C--N 1.287 -2.111 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.857 ' HB1' HD13 ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.439 -0.993 0 CA-C-O 122.768 1.27 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 2.3 t -150.55 -132.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.754 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -59.93 -45.51 92.36 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 111.057 -179.186 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -39.3 -73.11 0.05 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 122.835 1.302 . . . . 0.0 110.065 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.682 ' HG3' HD11 ' A' ' 63' ' ' ILE . 7.7 mmt180 -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 25.8 t0 -38.51 -55.15 1.44 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.54 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -62.8 -35.92 81.44 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.442 -0.786 . . . . 0.0 110.319 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 15.0 t -52.43 -61.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.679 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 12.6 tttp -55.18 -53.2 59.0 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.677 ' C ' HD23 ' A' ' 95' ' ' LEU . 4.1 t70 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.843 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -92.13 -44.72 8.65 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 120.7 -1.25 . . . . 0.0 108.315 178.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 26' ' ' LEU . 4.4 mt -36.42 -62.27 0.47 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 122.124 0.964 . . . . 0.0 110.075 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.679 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.88 0.3 0.89 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.802 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.61 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -95.08 -39.43 10.14 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.857 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -79.85 -31.95 40.48 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.393 -0.817 . . . . 0.0 109.446 179.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.987 HD11 ' CG ' ' A' ' 53' ' ' GLN . 1.1 mt -41.47 -39.46 2.31 Favored Pre-proline 0 C--N 1.304 -1.377 0 O-C-N 121.63 -0.669 . . . . 0.0 109.421 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 50.1 Cg_exo -66.93 0.13 4.07 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 O-C-N 124.663 1.875 . . . . 0.0 112.365 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.18 -45.29 8.73 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.936 -1.103 . . . . 0.0 111.618 -178.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.744 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.57 0 O-C-N 121.329 -0.857 . . . . 0.0 110.251 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.702 0 CA-C-O 121.922 0.868 . . . . 0.0 108.7 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.036 ' CD2' HD12 ' A' ' 95' ' ' LEU . 17.1 tp -100.57 -30.85 11.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 26' ' ' LEU . 39.5 tp -174.52 152.11 1.64 Allowed 'General case' 0 C--O 1.214 -0.78 0 O-C-N 119.11 -2.244 . . . . 0.0 111.571 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.628 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 146.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.805 0.812 . . . . 0.0 111.174 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -124.38 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.45 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.856 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -60.01 -81.52 0.02 OUTLIER 'General case' 0 C--O 1.183 -2.42 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.9 104.82 14.38 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 118.524 -2.61 . . . . 0.0 115.466 -172.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.793 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.6 t -106.57 164.8 4.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.129 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -114.86 142.86 45.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.9 pt20 -143.66 147.77 34.8 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -36.5 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -101.85 -52.54 3.16 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.095 -1.628 . . . . 0.0 111.575 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.627 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.38 169.24 22.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.536 0.684 . . . . 0.0 111.147 -172.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.4 t70 -105.24 134.23 48.69 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 100.481 -3.896 . . . . 0.0 100.481 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 33' ' ' TRP . . . -161.51 166.53 36.0 Favored Glycine 0 C--N 1.291 -1.964 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.856 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.69 141.6 32.33 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.065 -1.844 . . . . 0.0 108.321 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.007 HD11 ' CG ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -108.9 125.23 51.79 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.668 -175.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.9 m-85 -111.37 135.86 51.33 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.92 139.35 51.27 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 1.2 ttp -138.91 146.68 41.38 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.62 -57.66 0.94 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.772 -0.58 . . . . 0.0 110.605 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.547 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.0 tt0 -86.63 -11.98 49.83 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.061 -1.056 . . . . 0.0 113.381 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -163.44 165.04 24.26 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 119.235 -2.166 . . . . 0.0 112.408 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.699 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -110.86 128.93 66.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -112.96 146.75 38.47 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 1.021 ' HB3' HG23 ' A' ' 43' ' ' ILE . 28.5 t90 -131.51 138.24 48.86 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.528 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.85 148.72 22.17 Favored Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.294 -0.878 . . . . 0.0 110.806 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.546 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.387 0 O-C-N 123.651 1.343 . . . . 0.0 109.401 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 1.0 HG23 HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.443 -0.782 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.093 HD11 ' NE2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -149.14 157.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.751 0.786 . . . . 0.0 110.032 178.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.558 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -155.88 113.75 3.34 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 1.093 ' NE2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.76 123.88 50.3 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.9 -1.125 . . . . 0.0 110.549 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -68.01 112.87 5.25 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.117 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.2 m-30 -40.16 -39.97 1.01 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.259 -0.9 . . . . 0.0 110.856 -177.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.33 -36.5 77.0 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 120.079 -1.638 . . . . 0.0 108.19 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 46' ' ' MET . 8.5 m-20 -63.77 -3.22 2.21 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.719 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.984 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.2 pt -139.11 135.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.512 -0.742 . . . . 0.0 109.172 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -138.63 103.49 4.87 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 119.732 -1.855 . . . . 0.0 112.032 178.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.83 130.23 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 176.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.828 ' NE2' HD22 ' A' ' 100' ' ' LEU . 11.4 mm-40 -143.99 120.94 11.34 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 117.048 -1.861 . . . . 0.0 112.056 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 178.237 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.942 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.994 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' O ' ' A' ' 62' ' ' LYS 0.306 0.0 OUTLIER 77.03 84.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 123.19 1.472 . . . . 0.0 111.012 179.772 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -127.82 132.54 49.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.503 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.888 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -125.94 162.04 26.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 109.717 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 2.5 tt0 -149.86 128.49 12.36 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.348 -0.845 . . . . 0.0 110.671 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.984 HD21 ' HB ' ' A' ' 50' ' ' ILE . 2.2 tt -136.09 153.1 51.42 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.973 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -126.82 158.06 37.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-O 123.354 1.55 . . . . 0.0 111.776 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -87.74 144.73 26.47 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.113 -177.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.7 p80 -46.46 -31.27 2.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -77.09 -154.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.85 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 51.19 0.72 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.562 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.3 t0 -128.6 129.38 45.84 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.973 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.49 163.92 12.8 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -135.1 106.0 6.58 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 5.2 m-20 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.007 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.66 143.17 33.47 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 117.895 -1.522 . . . . 0.0 110.626 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.715 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 66.7 t-80 -145.55 145.11 30.89 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.436 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.727 ' CD2' HG22 ' A' ' 15' ' ' VAL . 13.1 m-85 . . . . . 0 C--N 1.277 -2.584 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 122.6 1.19 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -150.63 -148.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.284 -2.26 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.055 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -49.83 -28.09 5.94 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.401 -0.812 . . . . 0.0 110.408 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -56.51 -72.05 0.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.907 ' C ' HD13 ' A' ' 63' ' ' ILE . 3.3 mmt180 -56.59 -37.91 71.27 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -58.57 -17.84 24.92 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.053 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 88' ' ' GLU . . . -84.46 -39.75 18.55 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 176.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 10' ' ' LEU . 48.9 t -59.12 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.6 ttpt -44.15 -37.19 2.98 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.44 -0.787 . . . . 0.0 108.939 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.581 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.5 m-20 -53.96 -30.64 47.66 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.036 HD12 ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? -92.81 -41.87 9.86 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.165 -0.959 . . . . 0.0 109.585 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 26' ' ' LEU . 11.7 mt -44.45 -67.98 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.235 -0.916 . . . . 0.0 112.056 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.12 -1.31 0.3 Allowed 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.482 -1.387 . . . . 0.0 110.538 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 95' ' ' LEU . 4.2 tt0 -93.45 -36.43 12.47 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.044 -1.035 . . . . 0.0 109.663 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -85.53 -25.08 27.0 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 120.799 -1.188 . . . . 0.0 110.011 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.828 HD22 ' NE2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -50.09 -33.66 8.34 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 120.832 -1.168 . . . . 0.0 108.558 -178.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -73.23 -5.43 17.15 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.251 1.658 . . . . 0.0 111.203 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 3.4 tttp -80.66 -42.67 21.68 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 111.683 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 0.0 110.298 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.005 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.75 0 CA-C-O 121.625 0.726 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.0 tp -98.82 -27.17 14.05 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.629 -177.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 37.2 tp -173.5 160.61 3.89 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 119.252 -2.155 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.18 133.51 34.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.78 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -116.64 96.5 4.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.78 -1.2 . . . . 0.0 109.554 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.761 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 2.0 mptt -50.18 -19.63 0.82 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.4 tptp -113.14 110.46 20.46 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.379 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.993 HG21 ' HB2' ' A' ' 24' ' ' LEU . 50.8 t -150.56 144.7 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.34 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.562 175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -125.67 142.83 51.31 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.0 pt20 -140.41 136.22 32.85 Favored 'General case' 0 C--N 1.278 -2.513 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -36.17 -22.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.961 -0.462 . . . . 0.0 111.618 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptmm? -81.67 -53.17 6.45 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.336 -1.477 . . . . 0.0 109.882 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 8.2 tp60 -151.45 168.48 24.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.967 -173.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.726 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -105.63 133.76 49.84 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 101.365 -3.569 . . . . 0.0 101.365 176.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.43 166.04 36.38 Favored Glycine 0 C--N 1.301 -1.402 0 C-N-CA 120.172 -1.013 . . . . 0.0 110.753 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -85.4 133.6 34.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.519 1.152 . . . . 0.0 109.178 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -107.99 141.31 39.84 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.179 -175.078 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 11' ' ' ILE . 11.7 m-85 -116.47 135.91 53.43 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.768 HD12 HD11 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -112.37 137.21 50.85 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.472 -1.393 . . . . 0.0 107.374 178.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 1.005 ' SD ' HG12 ' A' ' 8' ' ' VAL . 2.7 ttp -134.18 138.91 45.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.18 -56.0 0.95 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.733 -0.604 . . . . 0.0 110.192 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 1.1 tp10 -87.34 -14.27 41.22 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.383 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -159.08 163.72 36.01 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.299 -2.126 . . . . 0.0 112.422 -178.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.768 HD11 HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -109.85 124.28 66.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.936 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -109.28 153.71 23.49 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.477 -0.764 . . . . 0.0 109.688 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.821 ' CE3' HG21 ' A' ' 42' ' ' THR . 22.7 t90 -132.28 141.13 48.87 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.367 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.33 117.19 3.21 Favored Pre-proline 0 C--N 1.295 -1.795 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.023 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 O-C-N 123.979 1.515 . . . . 0.0 109.904 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.821 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.925 HD13 ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -150.77 177.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.103 -1.039 . . . . 0.0 111.614 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -170.22 112.57 0.44 Allowed 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.502 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.925 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.13 129.16 55.48 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.723 -1.236 . . . . 0.0 110.265 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -74.09 107.83 6.52 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.52 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 99' ' ' LEU . 4.1 m-30 -31.06 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -67.29 -46.05 74.74 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 119.965 -1.709 . . . . 0.0 108.074 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 16.5 m-20 -65.9 -5.62 9.8 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.317 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.903 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -123.1 114.55 42.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -141.8 103.55 4.37 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 115.982 -2.287 . . . . 0.0 113.428 178.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.687 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 1.6 t 172.73 138.66 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 52' ' ' CYS . 6.4 mp0 -143.27 120.98 11.86 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.663 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.055 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.626 ' CD ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.358 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -157.39 83.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 120.635 -1.291 . . . . 0.0 113.272 -176.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 78' ' ' HIS . 3.5 pt20 -108.56 131.37 54.92 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 118.862 -2.399 . . . . 0.0 107.37 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.866 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -109.03 171.16 7.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.717 -1.239 . . . . 0.0 112.861 -176.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.542 ' CG ' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -135.61 127.15 28.79 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.951 0.881 . . . . 0.0 110.63 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD21 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -129.56 133.66 47.32 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.237 -2.135 . . . . 0.0 105.237 179.287 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.698 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -111.89 157.19 12.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 117.7 -1.6 . . . . 0.0 111.18 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.721 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.59 147.2 27.88 Favored 'General case' 0 C--N 1.28 -2.435 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.765 -178.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.0 p80 -49.15 -33.21 11.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.02 -153.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.97 53.32 0.59 Allowed Glycine 0 C--N 1.301 -1.381 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HD23 ' A' ' 69' ' ' LEU . 18.2 m-20 -127.68 139.9 52.42 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.8 160.1 16.24 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 119.66 -0.816 . . . . 0.0 108.968 -178.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 67' ' ' LEU . 86.1 m -133.74 104.46 6.34 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.542 ' ND2' ' CG ' ' A' ' 66' ' ' GLN . 4.3 m120 -109.77 146.35 35.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.842 -1.161 . . . . 0.0 108.974 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.999 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.8 141.08 22.31 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.962 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.686 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 26.5 t-80 -130.45 165.22 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.308 1.052 . . . . 0.0 113.163 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.035 ' HB2' HD11 ' A' ' 63' ' ' ILE . 13.7 m-85 . . . . . 0 C--O 1.207 -1.144 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 122.531 1.158 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 1.6 t -150.71 -145.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.415 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' H ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -46.2 -40.97 12.11 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.924 -1.11 . . . . 0.0 110.324 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.91 -1.119 . . . . 0.0 110.025 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.599 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.8 mmt180 -61.95 -56.25 21.07 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 6.3 t70 -35.84 -48.14 0.54 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -62.03 -54.04 47.05 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.895 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 39.0 t -38.31 -58.74 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.649 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 27.1 ttpp -59.12 -52.24 66.57 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -47.51 -19.67 0.19 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 5.5 mt -89.04 -45.29 9.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 65' ' ' LEU . 10.8 mt -40.56 -61.12 0.98 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.884 0.849 . . . . 0.0 109.919 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.649 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.4 -0.13 7.67 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.576 -0.703 . . . . 0.0 110.018 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.16 -27.79 16.69 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.742 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -92.35 -23.74 19.14 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.785 HD13 ' C ' ' A' ' 100' ' ' LEU . 2.7 tm? -45.61 -33.93 2.25 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 100' ' ' LEU . 41.2 Cg_exo -68.78 -1.37 7.54 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 124.069 1.563 . . . . 0.0 111.983 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.7 tttm -87.98 -44.22 11.17 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 112.617 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.665 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -176.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 121.657 0.742 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 9' ' ' LEU . 20.0 tp -98.74 -32.68 11.26 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.715 -0.794 . . . . 0.0 112.624 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 42.0 tp -175.93 147.21 0.75 Allowed 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.245 -2.159 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.29 141.42 33.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.496 -0.752 . . . . 0.0 109.71 179.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.15 117.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 177.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.026 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 16.8 ttmt -58.17 -83.27 0.01 OUTLIER 'General case' 0 C--O 1.186 -2.242 0 C-N-CA 116.729 -1.989 . . . . 0.0 108.482 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -49.77 133.85 21.2 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 119.735 -1.853 . . . . 0.0 111.943 -178.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.012 HG21 ' HB2' ' A' ' 24' ' ' LEU . 5.6 t -151.14 150.86 12.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.968 172.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 8.3 tpp180 -122.2 132.89 54.67 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.636 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 3.0 pt20 -137.03 130.24 31.09 Favored 'General case' 0 C--N 1.275 -2.667 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mttp -36.37 -22.42 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.656 -0.652 . . . . 0.0 111.868 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 13.6 ptmm? -80.66 -53.44 6.53 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.358 -1.464 . . . . 0.0 110.348 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.636 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 40.0 tt0 -152.0 168.29 25.7 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.575 -0.703 . . . . 0.0 110.116 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -106.43 132.01 52.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 101.544 -3.502 . . . . 0.0 101.544 175.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.583 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.81 166.11 36.01 Favored Glycine 0 C--N 1.291 -1.946 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.026 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.48 134.05 34.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.873 1.321 . . . . 0.0 111.539 -176.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.012 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.03 135.35 50.34 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.848 -176.059 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.65 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -115.89 141.79 47.63 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -120.29 138.19 53.83 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 178.23 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.749 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.5 ttp -144.76 144.26 31.09 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.5 -47.19 0.61 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.874 0.845 . . . . 0.0 109.196 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 2.0 tp10 -85.14 -31.45 23.28 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.375 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -162.13 166.49 25.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 119.733 -1.854 . . . . 0.0 113.386 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.608 HG22 ' NE2' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -108.99 131.77 58.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.688 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -114.92 156.98 24.0 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.081 -1.012 . . . . 0.0 111.369 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.877 ' CE3' HG21 ' A' ' 42' ' ' THR . 15.5 t90 -129.56 137.46 50.76 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.685 -0.635 . . . . 0.0 109.376 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.88 148.52 21.8 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 121.397 -0.815 . . . . 0.0 110.835 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.376 0 O-C-N 123.754 1.397 . . . . 0.0 109.638 178.887 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.889 HG23 HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.889 HG23 HG23 ' A' ' 42' ' ' THR . 1.1 pt -151.1 175.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.778 0.799 . . . . 0.0 111.283 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 p -159.61 128.21 5.07 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.776 ' ND1' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -109.13 104.75 13.99 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.68 -1.263 . . . . 0.0 108.976 -179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.662 ' N ' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.52 103.53 0.86 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.076 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.743 ' OH ' HD22 ' A' ' 96' ' ' LEU . 3.8 m-30 -32.29 -39.21 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 122.085 -0.384 . . . . 0.0 111.899 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -68.39 -46.15 70.79 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 120.014 -1.679 . . . . 0.0 108.479 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.846 ' C ' HD13 ' A' ' 50' ' ' ILE . 14.7 m-20 -65.73 -5.68 9.38 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.928 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -122.06 116.63 49.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' VAL . 5.9 tptp -136.66 102.93 5.06 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 115.708 -2.397 . . . . 0.0 113.259 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.674 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 5.4 t 172.18 131.33 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 100' ' ' LEU . 19.0 mm-40 -142.95 127.69 18.16 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 116.599 -2.04 . . . . 0.0 112.689 -176.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.297 -1.675 0 CA-C-N 113.236 -1.802 . . . . 0.0 106.374 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.827 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.197 -1.68 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.011 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 0.8 OUTLIER 79.42 80.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 121.708 2.049 . . . . 0.0 113.814 -179.176 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 2.9 pt20 -124.56 130.75 53.02 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.086 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.65 163.93 22.39 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.264 -1.522 . . . . 0.0 111.474 -179.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -144.98 129.28 17.77 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.305 -0.872 . . . . 0.0 110.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.928 HD21 ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -134.79 149.45 50.4 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 74' ' ' THR . 2.8 t -122.09 158.04 26.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.593 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.56 146.94 28.05 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.447 -178.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.8 p80 -48.69 -35.07 13.14 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.26 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.229 178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.4 51.97 0.67 Allowed Glycine 0 C--N 1.303 -1.251 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 m-20 -128.18 140.5 51.88 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.287 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.899 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.96 155.88 20.36 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.075 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.776 HG21 ' ND1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -126.78 105.26 8.54 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 178.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -111.37 138.63 47.62 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 108.592 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.972 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.11 144.32 29.92 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 118.398 -1.321 . . . . 0.0 110.595 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.723 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 52.7 t-80 -132.13 157.86 43.13 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.422 1.106 . . . . 0.0 109.971 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.886 ' HB2' HG23 ' A' ' 63' ' ' ILE . 67.2 m-85 . . . . . 0 C--N 1.282 -2.331 0 CA-C-O 122.115 0.96 . . . . 0.0 111.539 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 120.944 0.402 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -153.95 -141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 120.993 -1.067 . . . . 0.0 113.168 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 3.7 mptt -43.48 -33.92 1.22 Allowed 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.196 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -36.61 -72.98 0.05 Allowed 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 122.239 1.019 . . . . 0.0 109.878 -178.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.683 ' HG2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -81.82 -27.33 33.67 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 1.011 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -49.99 -21.17 1.13 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 176.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -88.47 -46.96 8.7 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 104.298 -2.482 . . . . 0.0 104.298 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.9 t -38.78 -51.43 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.668 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 tttp -60.39 -56.47 21.11 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.6 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 t70 -39.23 -24.3 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.778 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER -89.4 -42.97 11.21 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.743 HD22 ' OH ' ' A' ' 47' ' ' TYR . 5.5 mt -41.06 -58.98 1.6 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.491 0.662 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.668 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.87 -1.43 11.73 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.622 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.96 -28.34 16.49 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.92 -26.06 17.76 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 121.355 -0.841 . . . . 0.0 109.237 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG3' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -42.13 -33.69 0.63 Allowed Pre-proline 0 C--N 1.305 -1.368 0 O-C-N 121.434 -0.791 . . . . 0.0 109.38 -178.076 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.4 Cg_exo -73.72 2.76 5.53 Favored 'Trans proline' 0 C--N 1.301 -1.942 0 O-C-N 124.476 1.777 . . . . 0.0 111.565 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.9 ttmt -89.96 -48.22 7.35 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.448 -0.782 . . . . 0.0 111.646 -177.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.647 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.297 -1.709 0 O-C-N 121.656 -0.652 . . . . 0.0 109.851 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 p . . . . . 0 C--O 1.214 -0.764 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.961 ' CD2' HD21 ' A' ' 99' ' ' LEU . 9.2 tp -99.05 -55.38 2.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.681 -0.808 . . . . 0.0 113.117 -175.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 43.9 tp -159.06 149.99 19.98 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 119.501 -1.999 . . . . 0.0 111.792 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.984 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.36 129.86 75.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.024 HG11 ' CG2' ' A' ' 92' ' ' VAL . 3.3 m -127.41 131.98 69.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.957 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -80.83 -81.24 0.13 Allowed 'General case' 0 C--O 1.19 -2.027 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.042 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 115.01 1.21 Allowed 'General case' 0 C--N 1.267 -2.979 0 O-C-N 119.941 -1.724 . . . . 0.0 112.074 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.1 t -142.79 145.8 22.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.605 172.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -124.11 130.73 53.05 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.8 pt20 -136.95 135.73 37.95 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.5 mttt -36.17 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.817 -0.552 . . . . 0.0 111.727 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 ptpt -83.45 -55.13 4.48 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.288 -1.508 . . . . 0.0 110.406 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 23.3 mm100 -151.38 168.89 23.42 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.816 0.817 . . . . 0.0 111.456 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -105.9 127.77 53.35 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 101.155 -3.646 . . . . 0.0 101.155 176.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.815 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.06 166.78 36.47 Favored Glycine 0 C--N 1.297 -1.59 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.957 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 155.29 22.12 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.527 -1.572 . . . . 0.0 111.906 -176.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.029 ' HB2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt -118.09 121.97 41.92 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.214 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CE1' HG13 ' A' ' 11' ' ' ILE . 22.1 m-85 -110.21 124.77 52.19 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.85 HD12 HD11 ' A' ' 31' ' ' ILE . 10.3 tt -112.69 134.18 54.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 119.659 -1.901 . . . . 0.0 110.25 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.54 ' CE ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -109.88 153.39 24.53 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.62 -55.25 1.14 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.629 -0.67 . . . . 0.0 111.685 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -103.29 18.17 22.39 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 120.254 -1.529 . . . . 0.0 112.313 -177.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.573 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.7 OUTLIER -163.85 166.86 21.43 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.005 -1.684 . . . . 0.0 112.636 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.85 HD11 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -114.44 146.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -138.31 146.4 42.37 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.574 -1.329 . . . . 0.0 112.254 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.884 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 11.6 t90 -113.64 146.63 39.47 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.923 0.868 . . . . 0.0 110.643 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.63 112.58 2.97 Favored Pre-proline 0 C--N 1.3 -1.574 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.1 Cg_endo . . . . . 0 C--N 1.312 -1.358 0 O-C-N 124.036 1.545 . . . . 0.0 108.71 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.699 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 120.843 0.354 . . . . 0.0 110.527 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.764 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -145.0 151.06 15.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 120.88 -1.137 . . . . 0.0 110.6 -178.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.2 t -158.93 109.88 2.07 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.325 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.762 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.52 117.47 26.89 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 121.251 -0.905 . . . . 0.0 109.339 178.757 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.588 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.3 mtt -61.56 127.67 32.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HE2' HD13 ' A' ' 99' ' ' LEU . 1.7 m-85 -46.07 -46.28 16.72 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.769 -1.207 . . . . 0.0 109.923 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.13 67.58 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.988 -1.695 . . . . 0.0 108.337 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.7 m-20 -65.73 -4.89 7.19 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.687 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.911 ' CG2' HD22 ' A' ' 69' ' ' LEU . 22.1 pt -142.53 136.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -132.3 103.47 6.23 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.281 -2.137 . . . . 0.0 111.827 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.745 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 172.82 132.4 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.964 ' CG ' HD13 ' A' ' 100' ' ' LEU . 21.8 mp0 -143.83 131.36 21.11 Favored 'General case' 0 C--N 1.285 -2.215 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.154 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.301 -1.512 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 1.257 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.19 -2.075 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.257 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 112.25 80.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 120.347 1.43 . . . . 0.0 112.698 177.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HB3' ' CD2' ' A' ' 78' ' ' HIS . 3.1 pt20 -123.91 134.46 53.53 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.883 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.15 167.21 15.72 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.616 -1.303 . . . . 0.0 109.899 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -148.79 137.66 21.44 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 120.862 -1.148 . . . . 0.0 111.402 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -137.59 150.7 47.64 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 74' ' ' THR . 2.9 t -126.66 158.78 36.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.127 -1.429 . . . . 0.0 110.81 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.77 140.79 30.06 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.514 -177.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.502 ' C ' ' O ' ' A' ' 69' ' ' LEU . 12.2 p80 -46.27 -31.91 2.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -69.18 -155.3 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.335 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.73 54.8 0.53 Allowed Glycine 0 C--N 1.293 -1.807 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.599 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 33.9 m-20 -135.89 130.56 34.0 Favored 'General case' 0 C--N 1.289 -2.052 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.325 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.978 HG23 HG22 ' A' ' 68' ' ' VAL . 1.3 m -107.15 158.65 16.92 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.611 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -128.87 109.55 11.36 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 179.135 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -108.94 130.44 55.45 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.971 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -136.58 147.51 47.03 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.423 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.845 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 42.4 t-80 -148.91 164.79 33.47 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.89 1.329 . . . . 0.0 111.285 -177.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.845 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 65.5 m-85 . . . . . 0 C--N 1.281 -2.405 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.216 -0.696 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 85' ' ' ALA . 15.9 m -153.53 -119.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 O-C-N 121.704 -0.623 . . . . 0.0 110.736 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -37.76 -65.54 0.32 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.48 -0.762 . . . . 0.0 111.477 -179.196 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG3' ' NE ' ' A' ' 89' ' ' ARG . 0.5 OUTLIER -36.97 -72.68 0.06 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.752 0.787 . . . . 0.0 109.42 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 1.006 ' HB2' HG21 ' A' ' 63' ' ' ILE . 5.0 mmt180 -51.79 -38.05 54.0 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -58.88 -17.93 28.5 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -88.86 -39.59 13.72 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.024 ' CG2' HG11 ' A' ' 12' ' ' VAL . 37.8 t -55.39 -67.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.77 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.2 tttt -51.37 -38.75 54.92 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.585 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.4 t70 -52.21 -28.09 17.18 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.512 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.75 HD12 HD21 ' A' ' 9' ' ' LEU . 3.5 mm? -92.56 -48.13 6.77 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.992 -1.068 . . . . 0.0 109.359 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.773 ' HA ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -44.13 -68.42 0.2 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.494 -0.754 . . . . 0.0 112.482 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.77 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -58.36 -2.99 0.23 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.13 -0.981 . . . . 0.0 111.215 -178.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -98.44 -30.87 12.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.938 -1.101 . . . . 0.0 108.864 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -88.58 -35.23 17.01 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 67' ' ' LEU . 18.8 mt -51.51 -34.35 13.61 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.64 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -71.81 -1.7 10.31 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.309 1.689 . . . . 0.0 110.744 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 80.2 tttt -91.73 -37.11 13.2 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.279 -0.888 . . . . 0.0 110.819 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.676 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.636 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 26' ' ' LEU . 2.5 p . . . . . 0 C--O 1.215 -0.719 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.915 HD21 ' CD1' ' A' ' 95' ' ' LEU . 13.6 tp -99.24 -48.53 4.79 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.589 -0.844 . . . . 0.0 113.116 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 10' ' ' LEU . 12.7 tp -158.04 167.6 29.43 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 119.377 -2.077 . . . . 0.0 111.342 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -139.09 137.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -124.29 96.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 122.266 1.031 . . . . 0.0 109.966 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.703 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.95 -18.66 3.67 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.979 0.895 . . . . 0.0 111.113 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.6 tptp -115.18 118.61 33.82 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.638 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.072 HG21 ' HB2' ' A' ' 24' ' ' LEU . 11.5 t -150.37 146.43 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 C-N-CA 117.878 -1.529 . . . . 0.0 108.858 174.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.58 127.49 50.96 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.877 -177.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.66 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.5 pt20 -132.8 132.5 42.26 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.26 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.987 -0.446 . . . . 0.0 110.976 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 17' ' ' GLN . 15.5 ptmt -80.12 -54.82 5.41 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.594 -1.316 . . . . 0.0 110.088 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.66 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 16.7 mm-40 -151.37 168.49 24.65 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.744 0.783 . . . . 0.0 110.927 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -106.12 130.54 54.0 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 101.019 -3.697 . . . . 0.0 101.019 176.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.618 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.85 166.05 36.02 Favored Glycine 0 C--N 1.292 -1.909 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 132.56 34.35 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.994 1.378 . . . . 0.0 110.183 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.072 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.27 132.87 53.24 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.178 -176.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD12 ' A' ' 11' ' ' ILE . 9.5 m-85 -109.85 139.19 45.21 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.989 HD12 HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -113.0 133.54 54.91 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 119.807 -1.808 . . . . 0.0 107.58 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.562 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 6.0 ttt -126.03 140.42 52.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -39.89 -58.26 1.42 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.775 0.798 . . . . 0.0 109.057 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tp10 -86.93 -10.03 54.26 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -175.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.64 163.75 36.63 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 119.216 -2.177 . . . . 0.0 112.686 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.989 HD11 HD12 ' A' ' 26' ' ' LEU . 2.0 mm -110.79 136.06 47.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -123.21 147.26 47.07 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 120.971 -1.081 . . . . 0.0 110.728 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.82 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 17.4 t90 -124.98 140.66 52.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.37 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.09 120.98 3.62 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.927 -0.483 . . . . 0.0 109.99 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 3.2 Cg_endo . . . . . 0 C--N 1.311 -1.396 0 O-C-N 123.728 1.383 . . . . 0.0 110.38 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.692 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.782 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.833 HD13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -151.25 159.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.112 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 9.5 t -168.07 101.87 0.45 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.287 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.833 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.9 121.89 46.28 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.004 -1.06 . . . . 0.0 109.659 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 50' ' ' ILE . 5.6 mtt -69.91 108.73 4.13 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.011 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.858 ' HA ' HD12 ' A' ' 50' ' ' ILE . 2.1 m-30 -39.48 -46.08 1.64 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.728 -0.608 . . . . 0.0 110.368 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.16 79.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 119.43 -2.043 . . . . 0.0 107.809 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.681 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 5.8 m-20 -48.09 -33.89 8.87 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.067 HG13 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -113.0 160.19 12.65 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.32 -177.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -150.19 103.66 3.19 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 119.246 -2.159 . . . . 0.0 113.382 -179.545 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.704 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.12 137.13 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.9 ' CB ' HD12 ' A' ' 100' ' ' LEU . 3.3 mm-40 -143.61 128.24 18.12 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 117.745 -1.582 . . . . 0.0 111.273 -177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.647 0 CA-C-N 114.404 -1.271 . . . . 0.0 107.655 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 1.076 ' O ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.201 -1.497 0 CA-C-O 117.428 -1.272 . . . . 0.0 112.648 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.076 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 103.08 61.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 CA-C-N 120.444 1.474 . . . . 0.0 112.89 177.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -108.59 132.46 53.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 119.638 -1.914 . . . . 0.0 111.918 -177.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.859 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -118.19 161.0 20.6 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.887 -1.133 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.6 tt0 -150.21 132.85 15.82 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-O 121.662 0.744 . . . . 0.0 110.354 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.067 HD21 HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.89 155.35 45.52 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -178.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.05 157.7 43.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 123.1 1.428 . . . . 0.0 110.89 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.86 145.55 25.07 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 113.65 -1.614 . . . . 0.0 109.418 -176.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 8.3 p80 -48.92 -27.84 3.39 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.74 -154.3 0.08 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.5 53.16 0.6 Allowed Glycine 0 C--N 1.296 -1.651 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.642 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 4.9 m-20 -129.05 131.26 47.32 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.003 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.69 165.07 11.7 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.709 ' OG1' HD23 ' A' ' 67' ' ' LEU . 1.9 m -132.32 106.63 8.03 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' HG3' ' A' ' 66' ' ' GLN . 1.5 m-80 -111.59 136.98 50.05 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.795 -1.191 . . . . 0.0 107.847 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.974 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -148.97 147.54 28.72 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 117.695 -1.602 . . . . 0.0 111.312 -179.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.3 t-80 -137.44 163.3 31.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.266 1.031 . . . . 0.0 109.805 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CD2' HG22 ' A' ' 15' ' ' VAL . 6.9 m-85 . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.506 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 121.524 0.678 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.9 t -152.68 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 121.54 0.686 . . . . 0.0 111.58 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.3 mttt -52.12 -42.98 63.75 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 121.469 -0.769 . . . . 0.0 111.775 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -38.38 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.638 1.208 . . . . 0.0 110.238 -179.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.639 ' HB2' HG13 ' A' ' 63' ' ' ILE . 10.3 mmt180 -56.54 -42.55 78.69 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -58.34 -11.58 2.92 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.969 178.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.637 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.02 -37.61 11.04 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.992 -1.067 . . . . 0.0 108.64 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -65.18 -40.89 90.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 177.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.703 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -67.23 -40.48 86.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.665 ' C ' HE22 ' A' ' 97' ' ' GLN . 50.5 t0 -55.57 -22.07 20.23 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.915 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.6 mm? -91.22 -44.95 8.91 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -36.96 -68.94 0.13 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.764 0.792 . . . . 0.0 111.115 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.703 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.25 -0.81 0.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.695 -0.628 . . . . 0.0 111.636 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.22 -28.89 12.4 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.229 -0.919 . . . . 0.0 108.871 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -87.17 -35.76 18.41 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.34 -0.85 . . . . 0.0 109.116 179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.9 HD12 ' CB ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -43.13 -40.43 5.43 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 42.8 Cg_exo -60.38 -38.06 77.27 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 O-C-N 124.505 1.792 . . . . 0.0 110.454 178.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.1 tttt -48.9 -49.08 41.61 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.419 0.628 . . . . 0.0 111.197 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.298 -1.652 0 O-C-N 121.461 -0.774 . . . . 0.0 109.84 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.118 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.7 m . . . . . 0 C--O 1.215 -0.718 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.54 HD21 HD12 ' A' ' 95' ' ' LEU . 15.0 tp -99.19 -54.21 3.03 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.632 -0.827 . . . . 0.0 112.563 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 163.54 37.89 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 119.517 -1.989 . . . . 0.0 112.173 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.02 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.35 143.07 30.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 121.63 0.728 . . . . 0.0 110.384 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.816 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -123.46 128.66 74.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.703 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.46 -81.63 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.838 0 O-C-N 120.953 -1.092 . . . . 0.0 113.551 -175.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -109.22 104.1 13.19 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 118.884 -2.385 . . . . 0.0 115.086 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 24' ' ' LEU . 93.0 t -106.12 166.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -119.6 137.67 53.71 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.669 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 10.1 pt20 -141.68 148.28 38.84 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.82 -19.97 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.325 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 6.0 ptmm? -101.77 -53.9 2.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.106 -1.621 . . . . 0.0 111.379 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.37 168.89 23.39 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.942 0.877 . . . . 0.0 111.213 -173.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.58 134.29 48.94 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 177.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 166.12 35.57 Favored Glycine 0 C--N 1.29 -2.021 0 N-CA-C 106.946 -2.462 . . . . 0.0 106.946 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.73 146.56 28.95 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.947 -1.913 . . . . 0.0 108.54 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.059 HD11 ' CG ' ' A' ' 77' ' ' PHE . 1.2 mt -108.71 123.64 49.31 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.684 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 1.02 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 3.5 m-85 -109.89 137.11 48.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 15.7 tp -118.68 136.01 54.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 119.56 -1.962 . . . . 0.0 107.382 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 1.118 ' CE ' HG12 ' A' ' 8' ' ' VAL . 2.5 ttm -119.35 155.62 31.57 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.52 -55.62 1.08 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.656 -0.652 . . . . 0.0 111.207 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -108.21 9.71 28.03 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 120.172 -1.58 . . . . 0.0 112.463 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -155.65 165.6 36.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 119.275 -2.14 . . . . 0.0 112.754 -179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.725 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -115.98 125.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -109.78 152.63 25.45 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.294 -0.879 . . . . 0.0 109.953 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.97 ' O ' HG22 ' A' ' 42' ' ' THR . 28.4 t90 -136.48 141.1 43.47 Favored 'General case' 0 C--O 1.199 -1.598 0 O-C-N 121.421 -0.799 . . . . 0.0 109.704 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.99 123.87 4.17 Favored Pre-proline 0 C--N 1.296 -1.719 0 C-N-CA 119.408 -0.917 . . . . 0.0 112.02 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.595 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.7 Cg_endo . . . . . 0 C--N 1.307 -1.653 0 O-C-N 123.897 1.472 . . . . 0.0 108.57 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 1.017 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.8 t . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.017 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -146.65 168.26 6.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 O-C-N 121.043 -1.036 . . . . 0.0 109.593 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 43' ' ' ILE . 3.3 p -157.47 119.53 3.78 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.725 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -114.59 123.36 49.15 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.98 -1.075 . . . . 0.0 110.158 -179.416 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -67.16 109.16 2.94 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.639 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 1.9 m-30 -40.74 -42.87 1.86 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.538 -0.727 . . . . 0.0 109.951 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 50' ' ' ILE . . . -67.26 -46.22 74.35 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.334 -1.479 . . . . 0.0 108.047 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.8 m-20 -45.26 -29.8 1.08 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.986 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.8 pp -112.93 160.94 12.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.347 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.628 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -147.29 102.84 3.52 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 116.868 -1.933 . . . . 0.0 110.72 176.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.77 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.5 127.92 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.927 ' HG3' HD12 ' A' ' 67' ' ' LEU . 28.3 mp0 -143.51 127.19 17.07 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 117.813 -1.555 . . . . 0.0 111.246 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tttm . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 1.139 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.193 -1.886 0 CA-C-O 116.725 -1.607 . . . . 0.0 111.857 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.139 HG22 ' O ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER 113.14 81.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.8 1.636 . . . . 0.0 112.198 177.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -132.15 140.22 48.68 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 178.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.958 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -129.34 162.45 27.95 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.741 -1.224 . . . . 0.0 109.717 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.518 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -142.83 120.26 11.67 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.762 0.791 . . . . 0.0 110.904 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.986 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -127.69 152.08 48.16 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.326 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.122 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.31 157.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 C-N-CA 117.22 -1.792 . . . . 0.0 112.252 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -91.38 145.08 24.93 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.484 -176.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.628 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 93.1 m-70 -45.35 -32.41 2.04 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -74.93 -153.87 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.431 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.96 50.56 0.76 Allowed Glycine 0 C--N 1.299 -1.476 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.614 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 44.0 m-20 -128.64 127.78 42.87 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.488 -0.931 . . . . 0.0 108.488 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.122 HG23 HG22 ' A' ' 68' ' ' VAL . 10.5 m -108.68 160.26 16.08 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -118.5 115.46 24.66 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.518 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 76.1 m-20 -115.26 122.14 45.04 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.059 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.62 144.56 51.33 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.689 -1.604 . . . . 0.0 109.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.773 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 50.3 t-80 -148.85 142.96 25.96 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.575 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.816 ' HE2' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.282 -2.355 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.634 ' HB1' ' C ' ' A' ' 79' ' ' PHE . . . . . . . . 0 C--O 1.216 -0.708 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' OE2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -149.43 -112.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.704 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.3 tttt -54.1 -65.12 0.63 Allowed 'General case' 0 C--O 1.205 -1.245 0 O-C-N 120.615 -1.303 . . . . 0.0 111.297 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.9 ' OE2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -35.56 -67.1 0.17 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.991 -1.068 . . . . 0.0 110.655 -178.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.633 HH11 HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -58.97 -29.82 67.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.2 t0 -61.73 -16.33 48.35 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 94' ' ' ASP . . . -87.71 -30.25 20.49 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 12' ' ' VAL . 42.4 t -59.07 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.746 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -46.52 -36.96 7.28 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.587 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 33.6 t0 -52.97 -30.59 35.82 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 9' ' ' LEU . 3.2 mm? -92.82 -42.87 9.3 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.313 -0.867 . . . . 0.0 109.104 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -43.1 -68.09 0.22 Allowed 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.614 -0.679 . . . . 0.0 112.022 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.746 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -61.51 -0.99 0.47 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.616 -1.303 . . . . 0.0 110.85 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.442 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -90.94 -39.75 12.09 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.047 -1.033 . . . . 0.0 108.504 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -82.5 -26.6 32.41 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.248 -0.908 . . . . 0.0 108.952 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 53' ' ' GLN . 20.7 mt -56.48 -37.17 54.57 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 38.1 Cg_exo -69.97 -4.18 13.65 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.203 1.633 . . . . 0.0 110.623 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -85.93 -29.73 23.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 110.389 -179.104 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.639 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.487 0 O-C-N 121.229 -0.92 . . . . 0.0 109.802 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.591 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.6 m . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 121.836 0.826 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.6 tp -98.72 -50.14 4.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.067 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.738 ' CD2' HG22 ' A' ' 92' ' ' VAL . 5.0 tt -159.1 148.17 18.49 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.46 -2.025 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.081 HD13 ' CG ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.23 150.37 21.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-O 122.823 1.297 . . . . 0.0 111.117 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.782 HG21 ' HE1' ' A' ' 79' ' ' PHE . 35.8 m -134.84 113.52 16.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -59.23 -18.19 34.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.866 179.306 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.1 tptt -117.7 122.01 42.37 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.988 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.023 HG21 ' HB2' ' A' ' 24' ' ' LEU . 22.7 t -151.49 151.88 11.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -123.42 130.75 53.16 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-O 121.73 0.776 . . . . 0.0 109.575 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.612 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 16.3 pt20 -137.06 131.0 32.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.68 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.682 -0.636 . . . . 0.0 111.402 -174.168 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.648 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -74.96 -57.45 3.89 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.614 -1.304 . . . . 0.0 110.15 178.259 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.648 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 7.9 tt0 -152.14 168.59 24.83 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.71 -0.619 . . . . 0.0 109.8 -173.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -105.77 128.48 53.73 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 176.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.606 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.52 165.65 35.65 Favored Glycine 0 C--N 1.294 -1.779 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.604 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.31 136.24 33.99 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 123.147 1.451 . . . . 0.0 111.7 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.041 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.68 131.78 54.03 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.02 -176.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 1.081 ' CG ' HD13 ' A' ' 11' ' ' ILE . 30.9 m-85 -111.47 131.5 55.17 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.385 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 99' ' ' LEU . 2.6 tt -109.99 128.53 55.45 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.591 ' CE ' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -118.1 153.15 34.25 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.16 -55.68 0.96 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.982 -0.449 . . . . 0.0 110.985 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.2 tt0 -105.92 5.15 30.3 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.357 -1.464 . . . . 0.0 112.406 -177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.567 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -158.83 165.57 33.92 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 119.12 -2.237 . . . . 0.0 113.423 -179.239 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 26' ' ' LEU . 1.2 mm -108.87 136.67 43.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -125.18 150.24 47.15 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.958 -1.089 . . . . 0.0 111.118 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.88 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 21.9 t90 -123.61 143.92 49.92 Favored 'General case' 0 C--O 1.193 -1.872 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.29 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.56 165.24 17.86 Favored Pre-proline 0 C--N 1.295 -1.768 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.652 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo . . . . . 0 C--N 1.312 -1.394 0 O-C-N 123.81 1.427 . . . . 0.0 108.84 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.162 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -154.55 154.3 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 121.551 -0.718 . . . . 0.0 109.821 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 p -162.66 101.95 1.04 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.039 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.795 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.81 115.45 29.85 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.122 -0.986 . . . . 0.0 109.363 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.567 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.41 115.26 4.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.492 -0.755 . . . . 0.0 109.496 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.91 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.4 m-30 -39.86 -43.69 1.51 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.808 -0.558 . . . . 0.0 109.871 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.5 86.14 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 120.107 -1.62 . . . . 0.0 107.68 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.1 m-20 -62.12 -5.47 2.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.652 177.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.034 HG21 HD21 ' A' ' 67' ' ' LEU . 1.3 mt -131.69 140.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -147.22 103.04 3.55 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 116.373 -2.131 . . . . 0.0 111.145 175.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.862 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER 172.68 121.74 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 176.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 1.091 ' CB ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -143.5 120.8 11.57 Favored 'General case' 0 C--N 1.279 -2.492 0 C-N-CA 116.978 -1.889 . . . . 0.0 111.805 -177.352 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.885 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.194 -1.831 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.924 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 1.0 OUTLIER 81.94 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 120.962 1.71 . . . . 0.0 114.204 -179.602 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.78 141.66 49.54 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.411 -1.268 . . . . 0.0 107.897 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.871 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.27 166.82 20.36 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.543 -1.348 . . . . 0.0 111.178 -179.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -142.08 134.88 28.53 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.826 0.822 . . . . 0.0 110.726 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.034 HD21 HG21 ' A' ' 50' ' ' ILE . 1.1 tp -141.6 137.97 32.28 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -119.25 159.05 20.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-O 122.855 1.312 . . . . 0.0 110.548 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.904 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -93.02 144.55 25.14 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.94 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 4.5 p80 -45.65 -31.24 1.83 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -72.18 -149.35 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.04 51.13 0.73 Allowed Glycine 0 C--N 1.297 -1.633 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.56 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.47 135.31 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.634 -178.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.03 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.26 154.46 21.75 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.774 -0.771 . . . . 0.0 109.082 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.6 m -123.82 112.0 16.78 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -109.42 135.69 50.04 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.695 -1.253 . . . . 0.0 108.636 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.041 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -140.56 151.33 44.63 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.412 -1.315 . . . . 0.0 110.613 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.705 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.2 t-80 -143.97 151.69 40.09 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.278 1.037 . . . . 0.0 110.096 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.917 ' HB2' HG23 ' A' ' 63' ' ' ILE . 62.9 m-85 . . . . . 0 C--N 1.283 -2.304 0 CA-C-O 122.186 0.993 . . . . 0.0 111.115 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.731 0 CA-C-O 121.17 0.51 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.86 -141.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 121.042 -1.036 . . . . 0.0 111.624 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -51.86 -16.55 0.73 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.474 0.654 . . . . 0.0 110.356 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.21 -73.67 0.06 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.462 1.125 . . . . 0.0 108.39 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.723 ' HG3' ' HB3' ' A' ' 79' ' ' PHE . 1.4 mmp_? -70.09 -34.05 72.67 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.924 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.3 t0 -42.24 -49.15 5.0 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -57.41 -54.77 43.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 176.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 10' ' ' LEU . 38.5 t -40.3 -54.48 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.651 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.2 OUTLIER -49.74 -51.05 41.74 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.633 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 5.6 t0 -39.92 -62.86 0.66 Allowed 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.1 mt -41.55 -56.45 2.56 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.1 mt -38.14 -68.1 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.444 0.64 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.73 -1.34 6.8 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 118.989 -1.084 . . . . 0.0 110.372 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.13 -36.03 15.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -88.1 -25.08 23.2 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 121.126 -0.984 . . . . 0.0 108.449 178.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -43.04 -36.12 1.54 Allowed Pre-proline 0 C--N 1.302 -1.498 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -177.013 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.0 Cg_exo -75.05 4.36 4.84 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 O-C-N 124.575 1.829 . . . . 0.0 111.809 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 99' ' ' LEU . 4.8 tttt -98.75 -42.98 6.96 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 112.24 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.49 0 O-C-N 120.785 -1.197 . . . . 0.0 110.08 -175.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.765 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.743 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.093 ' CD2' HD13 ' A' ' 95' ' ' LEU . 20.9 tp -98.67 -31.01 12.14 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.482 -0.887 . . . . 0.0 113.0 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.886 HD21 HG13 ' A' ' 12' ' ' VAL . 6.2 tt -177.4 150.39 0.7 Allowed 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.133 -2.229 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.03 137.11 56.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.886 HG13 HD21 ' A' ' 10' ' ' LEU . 1.3 m -127.27 123.4 61.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.978 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.61 -82.0 0.03 OUTLIER 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 117.971 -1.492 . . . . 0.0 108.993 -178.651 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 13' ' ' LYS . 1.4 mptt -48.6 117.59 2.1 Favored 'General case' 0 C--N 1.274 -2.698 0 O-C-N 120.035 -1.666 . . . . 0.0 112.03 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.107 HG21 ' HB2' ' A' ' 24' ' ' LEU . 55.9 t -146.11 144.7 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-O 122.174 0.988 . . . . 0.0 108.55 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.78 135.99 54.93 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.613 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.4 pt20 -143.51 133.89 24.68 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.14 -25.15 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.727 -173.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -76.19 -58.9 3.01 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.696 -1.252 . . . . 0.0 109.521 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.619 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.74 169.23 22.71 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.743 0.782 . . . . 0.0 110.925 -174.651 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 m-20 -105.67 132.62 51.59 Favored 'General case' 0 C--N 1.293 -1.878 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.89 166.4 36.19 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -174.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.978 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.74 133.51 34.36 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.922 1.344 . . . . 0.0 110.482 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.54 133.87 52.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.832 -175.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 16.1 m-85 -112.26 139.03 48.15 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 95' ' ' LEU . 8.5 tt -118.42 136.91 53.5 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 119.779 -1.826 . . . . 0.0 108.399 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.765 ' SD ' HG12 ' A' ' 8' ' ' VAL . 3.4 ttp -134.32 139.67 45.84 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.56 -55.91 1.07 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.625 -0.672 . . . . 0.0 110.465 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -85.21 -16.13 41.3 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.33 -175.284 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.01 163.35 37.84 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.607 -1.933 . . . . 0.0 112.33 179.549 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.695 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.0 129.26 68.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -110.06 160.06 16.77 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.233 -0.917 . . . . 0.0 111.017 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.794 ' CE3' HG21 ' A' ' 42' ' ' THR . 21.2 t90 -139.58 144.93 38.0 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.999 0.904 . . . . 0.0 110.403 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.14 119.06 3.39 Favored Pre-proline 0 C--N 1.293 -1.869 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.471 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 5.3 Cg_endo . . . . . 0 C--N 1.309 -1.525 0 O-C-N 123.934 1.491 . . . . 0.0 109.215 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.794 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.214 -0.766 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.919 HD12 ' CE1' ' A' ' 45' ' ' HIS . 3.5 pt -151.56 173.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.669 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.9 m -166.82 109.28 0.7 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.919 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.53 128.92 55.54 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.868 -1.145 . . . . 0.0 110.539 -178.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.1 mpp? -73.13 108.86 6.25 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.695 ' CE2' HD13 ' A' ' 99' ' ' LEU . 11.8 m-85 -30.81 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.665 -0.647 . . . . 0.0 112.29 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -65.88 -45.52 81.75 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 120.154 -1.591 . . . . 0.0 108.282 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.563 ' C ' HD13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -66.08 -5.99 11.61 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -123.5 105.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -130.52 103.33 6.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 115.9 -2.32 . . . . 0.0 113.526 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.41 140.36 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 176.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.529 ' NE2' ' HG ' ' A' ' 100' ' ' LEU . 2.5 mt-30 -142.42 120.81 12.38 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 117.031 -1.868 . . . . 0.0 111.173 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-N 113.314 -1.766 . . . . 0.0 108.291 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.672 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -151.58 84.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-O 122.836 1.303 . . . . 0.0 114.378 -177.183 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -109.09 124.58 51.0 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 119.727 -1.858 . . . . 0.0 108.067 178.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.788 ' HG ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.33 166.2 11.71 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.154 -0.966 . . . . 0.0 110.701 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -143.43 134.96 26.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 121.145 -0.972 . . . . 0.0 111.012 -179.401 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 ' CG2' ' A' ' 50' ' ' ILE . 1.1 tt -136.88 134.79 37.23 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.2 t -109.84 157.11 10.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 C-N-CA 117.583 -1.647 . . . . 0.0 110.834 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.2 mm? -84.4 147.68 27.0 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.006 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 31.6 m-70 -47.35 -38.43 12.96 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.24 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.376 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.36 52.34 0.65 Allowed Glycine 0 C--N 1.3 -1.449 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 9.0 t0 -128.8 142.22 51.05 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.527 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.733 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.41 158.79 17.2 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.01 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 18.6 m -132.58 104.24 6.57 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -109.77 145.75 36.13 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.842 -1.161 . . . . 0.0 109.078 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.078 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.61 142.64 23.99 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.412 1.101 . . . . 0.0 110.36 179.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.672 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 52.2 t-80 -144.61 166.74 24.33 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.735 -175.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.057 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.708 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.587 ' N ' ' NH2' ' A' ' 89' ' ' ARG . 2.3 t -129.37 -66.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 123.187 2.721 . . . . 0.0 112.033 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.623 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -59.65 -64.41 0.95 Allowed 'General case' 0 CA--C 1.556 1.19 0 O-C-N 120.799 -1.188 . . . . 0.0 113.693 -178.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 1.9 mt-10 -35.6 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.237 -0.914 . . . . 0.0 111.211 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.756 ' CD ' HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.85 -21.37 64.28 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 117.841 -1.543 . . . . 0.0 108.433 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -45.07 -55.67 5.41 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -58.89 -54.01 51.92 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 10' ' ' LEU . 54.0 t -39.5 -63.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.593 0.711 . . . . 0.0 109.901 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.744 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 3.9 tttm -58.7 -47.93 82.87 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.563 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 26.0 t0 -46.26 -19.7 0.08 Allowed 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.093 HD13 ' CD2' ' A' ' 9' ' ' LEU . 1.3 mt -89.33 -44.27 10.34 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.788 HD11 ' HG ' ' A' ' 65' ' ' LEU . 1.1 mt -37.3 -65.36 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.831 0.824 . . . . 0.0 109.405 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.744 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.2 -1.75 11.15 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.105 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -100.0 -28.61 12.99 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.427 -0.796 . . . . 0.0 109.589 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.695 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -87.25 -31.64 20.16 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.0 -1.063 . . . . 0.0 109.179 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.652 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -40.77 -40.12 2.04 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 41.5 Cg_exo -65.3 -37.89 29.21 Favored 'Trans proline' 0 C--N 1.299 -2.075 0 O-C-N 124.659 1.873 . . . . 0.0 111.214 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 99' ' ' LEU . 10.8 tttm -50.33 -51.7 43.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.619 0.723 . . . . 0.0 111.607 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.607 -0.683 . . . . 0.0 109.611 -177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.151 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 121.829 0.823 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.84 -47.89 5.12 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.003 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 95' ' ' LEU . 26.8 tp -158.38 143.07 16.15 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.675 -1.891 . . . . 0.0 110.136 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 136.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.351 -0.843 . . . . 0.0 110.019 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.854 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -119.26 100.16 9.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-O 122.198 0.999 . . . . 0.0 108.613 177.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.659 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.76 -18.9 9.41 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.02 0.914 . . . . 0.0 110.954 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.0 tptt -115.93 120.45 39.23 Favored 'General case' 0 C--N 1.28 -2.45 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.24 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' HB2' ' A' ' 24' ' ' LEU . 36.9 t -150.75 148.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.489 -1.285 . . . . 0.0 109.301 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 9.7 tpp180 -123.55 134.66 53.81 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.65 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 8.5 pt20 -141.58 134.82 29.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' GLN . 11.4 mttp -36.68 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.847 -0.533 . . . . 0.0 111.382 -174.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 ptpm? -80.98 -55.9 4.48 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.514 -1.367 . . . . 0.0 110.472 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.645 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.49 168.67 24.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 110.228 -175.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -106.1 129.98 54.09 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 101.027 -3.694 . . . . 0.0 101.027 175.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.6 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.75 165.9 35.9 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.596 -176.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.59 134.64 34.39 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 123.2 1.476 . . . . 0.0 111.143 -176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.109 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.6 mt -107.93 134.32 51.02 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.7 -175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.774 ' CE1' HD12 ' A' ' 11' ' ' ILE . 7.5 m-85 -116.85 135.18 53.94 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 27' ' ' MET . 1.7 tt -109.77 130.08 55.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.175 -1.578 . . . . 0.0 106.974 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 1.151 ' CE ' HG12 ' A' ' 8' ' ' VAL . 6.0 ttm -116.04 153.8 31.05 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.6 -55.45 1.12 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.824 -0.548 . . . . 0.0 111.165 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.7 tt0 -105.94 7.98 32.34 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.357 -1.464 . . . . 0.0 112.769 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' C ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -159.56 165.31 33.14 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 119.241 -2.162 . . . . 0.0 113.164 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.64 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -109.87 123.4 65.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -110.8 158.81 18.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.165 0.983 . . . . 0.0 111.498 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.899 ' CE3' HG21 ' A' ' 42' ' ' THR . 16.9 t90 -134.42 140.53 46.34 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.253 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.76 159.52 32.3 Favored Pre-proline 0 C--N 1.297 -1.679 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.335 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.316 -1.164 0 O-C-N 123.97 1.51 . . . . 0.0 109.119 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 1.018 HG23 HG23 ' A' ' 43' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.441 -0.899 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.018 HG23 HG23 ' A' ' 42' ' ' THR . 2.2 pp -150.72 172.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.118 0.961 . . . . 0.0 111.852 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -168.48 113.34 0.62 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.989 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.1 117.16 33.44 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.874 -1.141 . . . . 0.0 109.046 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.9 115.14 5.05 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.617 -0.677 . . . . 0.0 110.136 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.1 m-30 -39.04 -45.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.996 -0.44 . . . . 0.0 110.178 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.13 -37.13 78.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 119.96 -1.713 . . . . 0.0 108.391 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.5 m-20 -66.71 -4.69 9.54 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.571 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.873 HD13 ' HB2' ' A' ' 45' ' ' HIS . 6.0 pt -137.87 139.05 43.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.433 -0.792 . . . . 0.0 109.121 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -144.0 103.64 4.05 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 119.201 -2.187 . . . . 0.0 112.101 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.882 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.01 128.07 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.444 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.636 ' HG2' HD12 ' A' ' 67' ' ' LEU . 1.4 mt-30 -143.57 120.98 11.65 Favored 'General case' 0 C--N 1.285 -2.227 0 C-N-CA 117.646 -1.622 . . . . 0.0 111.314 -177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tttp . . . . . 0 C--N 1.302 -1.464 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HG3' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 121.59 0.709 . . . . 0.0 109.821 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -162.78 82.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 C-N-CA 118.467 -1.293 . . . . 0.0 113.997 -176.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.54 133.74 55.56 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.841 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.29 166.67 13.7 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.605 -1.31 . . . . 0.0 111.062 -178.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.94 129.35 21.25 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.724 0.773 . . . . 0.0 110.545 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 50' ' ' ILE . 1.9 tt -133.28 149.72 51.93 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.984 HG22 HG23 ' A' ' 74' ' ' THR . 1.9 t -125.64 158.74 34.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-O 123.294 1.521 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -93.51 144.16 25.62 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.051 -177.179 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.6 p80 -45.22 -30.84 1.29 Allowed 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.07 -148.93 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.6 53.08 0.62 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.598 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 7.3 m-20 -128.99 129.78 45.83 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 119.749 -0.78 . . . . 0.0 108.976 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.984 HG23 HG22 ' A' ' 68' ' ' VAL . 2.0 m -108.05 158.37 17.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -125.5 115.8 20.8 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.393 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.07 130.59 55.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.109 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -143.42 152.66 41.82 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.224 -1.39 . . . . 0.0 111.027 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.834 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.3 t-80 -150.32 162.97 39.48 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.961 1.363 . . . . 0.0 112.343 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 27.3 m-85 . . . . . 0 C--N 1.291 -1.937 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 87' ' ' LYS . 77.8 t -144.23 -101.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 O-C-N 118.81 -2.431 . . . . 0.0 111.116 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -34.85 -65.56 0.21 Allowed 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.995 -178.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -36.9 -62.17 0.5 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.014 0.912 . . . . 0.0 110.485 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.759 ' HB2' HG21 ' A' ' 63' ' ' ILE . 9.9 mmt180 -60.96 -47.33 86.91 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 4.8 m-20 -52.34 -16.59 0.89 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.688 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -96.5 -30.93 13.05 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 4.0 t -66.49 -55.54 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.622 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.8 ttpt -53.21 -51.2 62.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' LYS . 32.3 m-20 -38.55 -69.49 0.12 Allowed 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -41.68 -51.41 4.09 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 121.486 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.621 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -39.71 -65.9 0.35 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.696 0.76 . . . . 0.0 110.182 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.622 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -67.52 -2.53 6.68 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.379 -0.826 . . . . 0.0 110.055 -179.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.01 -35.17 11.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.175 -0.953 . . . . 0.0 109.577 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -90.07 -29.47 18.34 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 121.003 -1.061 . . . . 0.0 108.395 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.635 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -43.15 -41.64 7.21 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -62.1 -36.35 70.59 Favored 'Trans proline' 0 C--N 1.299 -2.031 0 O-C-N 124.601 1.843 . . . . 0.0 110.5 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -49.94 -43.31 49.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.711 -0.618 . . . . 0.0 111.464 -179.51 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.461 0 O-C-N 121.053 -1.029 . . . . 0.0 110.165 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.215 -0.712 0 CA-C-O 121.784 0.802 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 26' ' ' LEU . 31.1 tp -98.68 -48.08 5.09 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.338 -176.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -159.33 142.22 14.18 Favored 'General case' 0 C--N 1.311 -1.077 0 O-C-N 119.5 -2.0 . . . . 0.0 110.828 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.761 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.84 133.35 65.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 O-C-N 121.486 -0.759 . . . . 0.0 110.117 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.903 HG11 HG21 ' A' ' 92' ' ' VAL . 5.9 m -115.69 96.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.83 -19.25 16.35 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.943 0.877 . . . . 0.0 110.547 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.16 117.95 30.98 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.499 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.88 148.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.749 174.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HB3' ' HD1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.31 141.99 50.39 Favored 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.665 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.6 pt20 -146.11 132.14 19.27 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.71 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.818 -0.551 . . . . 0.0 111.395 -174.04 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.89 -55.56 4.88 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.464 -1.398 . . . . 0.0 110.291 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.665 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 38.5 tt0 -151.85 168.48 24.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.655 -0.653 . . . . 0.0 110.033 -174.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 3.0 m-20 -106.1 129.43 54.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 101.701 -3.444 . . . . 0.0 101.701 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.02 165.96 36.09 Favored Glycine 0 C--N 1.299 -1.505 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.327 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.77 134.62 34.31 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 123.227 1.489 . . . . 0.0 111.084 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.052 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.74 135.64 48.83 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 113.264 -1.789 . . . . 0.0 110.17 -175.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 8.6 m-85 -117.08 133.55 55.86 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.919 HD23 ' N ' ' A' ' 27' ' ' MET . 4.9 tt -109.97 131.09 55.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.01 -1.681 . . . . 0.0 107.699 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.919 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.8 ttt -117.93 152.36 35.6 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.39 -55.98 1.01 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.825 -0.547 . . . . 0.0 111.504 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 tt0 -103.83 5.81 36.17 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 120.21 -1.556 . . . . 0.0 112.243 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -159.9 165.83 31.39 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.309 -2.12 . . . . 0.0 113.128 -179.232 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 47' ' ' TYR . 1.4 mm -108.94 137.71 39.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.632 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -125.05 150.97 46.24 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.986 -1.071 . . . . 0.0 111.328 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.853 ' N ' HG22 ' A' ' 43' ' ' ILE . 17.1 t90 -124.78 143.25 50.9 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.468 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.54 125.95 4.54 Favored Pre-proline 0 C--N 1.295 -1.798 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.749 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 2.9 Cg_endo . . . . . 0 C--N 1.307 -1.633 0 O-C-N 123.847 1.446 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.175 0.512 . . . . 0.0 109.827 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.861 HD13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -152.27 157.02 5.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.88 -179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 49.8 p -164.0 102.16 0.88 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.861 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.72 115.67 30.29 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 121.102 -0.999 . . . . 0.0 109.105 179.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.557 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -65.47 116.89 7.23 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.447 -0.783 . . . . 0.0 110.277 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.92 ' HD1' HD11 ' A' ' 50' ' ' ILE . 4.1 m-30 -39.47 -46.25 1.66 Allowed 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.892 -0.505 . . . . 0.0 109.876 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.541 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.11 -37.3 78.3 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 120.09 -1.631 . . . . 0.0 108.461 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' MET . 23.6 m-20 -68.59 -5.01 17.46 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.508 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.92 HD11 ' HD1' ' A' ' 47' ' ' TYR . 8.0 pt -135.76 133.35 51.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.477 -0.764 . . . . 0.0 109.2 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -148.1 104.07 3.52 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 119.261 -2.15 . . . . 0.0 113.531 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.672 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 4.8 t 173.26 133.92 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 6.2 mt-30 -143.55 121.61 12.13 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.038 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.413 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.672 ' HD3' ' CD2' ' A' ' 78' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.16 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -163.94 84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 O-C-N 120.902 -1.124 . . . . 0.0 113.019 -177.431 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 11.3 pt20 -109.0 130.42 55.48 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.862 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.77 171.28 8.72 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 120.608 -1.308 . . . . 0.0 112.113 -177.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.3 OUTLIER -138.43 131.72 30.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.583 0.706 . . . . 0.0 110.262 -179.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.58 HD22 HD12 ' A' ' 50' ' ' ILE . 6.3 tt -133.54 145.41 50.1 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.5 t -122.61 158.34 26.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.486 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.871 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -92.5 146.17 23.88 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.588 -176.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 52.9 m-70 -45.36 -32.01 1.89 Allowed 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.26 -151.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.229 -1.351 . . . . 0.0 107.805 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.14 52.92 0.61 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.615 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 m-20 -128.82 134.81 48.47 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.235 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.48 160.1 15.91 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.228 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.661 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.7 m -133.59 107.34 7.93 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 14.7 m-20 -108.83 138.14 45.63 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.924 -1.11 . . . . 0.0 108.244 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.052 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.27 150.82 36.52 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.984 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.672 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t-80 -144.15 156.03 44.17 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 122.631 1.205 . . . . 0.0 112.498 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.098 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.531 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.753 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.906 HG22 ' OE2' ' A' ' 88' ' ' GLU . 10.7 m -153.01 -138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.229 -1.544 . . . . 0.0 112.603 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.649 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -34.58 -41.19 0.12 Allowed 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.842 -0.536 . . . . 0.0 111.537 -178.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.906 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -48.06 -72.37 0.05 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.742 -1.224 . . . . 0.0 108.574 179.179 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.677 ' C ' HD13 ' A' ' 63' ' ' ILE . 11.6 mmt180 -62.98 -53.47 53.41 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' N ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -35.73 -50.07 0.62 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -60.83 -53.0 62.64 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.098 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 16.6 t -38.6 -61.07 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.695 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.7 ttpp -58.09 -51.52 69.38 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.627 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 7.9 t0 -43.33 -23.2 0.05 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.772 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.65 -44.35 10.67 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.105 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.651 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.0 mt -39.94 -62.03 0.78 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.271 0.557 . . . . 0.0 109.892 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.695 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.14 -2.01 11.77 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.628 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.28 -36.89 12.96 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.85 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -91.0 -29.25 17.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.654 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 tp -43.11 -45.88 13.42 Favored Pre-proline 0 C--N 1.305 -1.365 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.3 Cg_exo -55.37 -34.43 88.86 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 O-C-N 124.359 1.716 . . . . 0.0 110.682 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -54.22 -42.55 69.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.758 -0.589 . . . . 0.0 112.18 -178.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.715 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.413 0 O-C-N 120.809 -1.182 . . . . 0.0 110.311 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.657 HG12 ' HE2' ' A' ' 27' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 121.944 0.878 . . . . 0.0 109.9 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.004 HD21 ' HG ' ' A' ' 95' ' ' LEU . 8.4 tp -99.0 -50.27 4.23 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.495 -177.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.44 168.21 27.58 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 119.653 -1.905 . . . . 0.0 110.93 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -134.33 136.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.88 96.81 4.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 CA-C-O 122.275 1.036 . . . . 0.0 109.481 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.723 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.24 -18.93 18.37 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.459 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.3 tptm -114.71 115.3 26.85 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 119.849 -0.741 . . . . 0.0 110.233 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.007 HG21 ' HB2' ' A' ' 24' ' ' LEU . 19.2 t -150.26 146.86 16.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 118.223 -1.391 . . . . 0.0 109.548 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.598 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.75 131.16 53.92 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.8 pt20 -136.19 132.69 36.26 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.5 mttp -36.35 -24.1 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.917 -0.489 . . . . 0.0 111.244 -173.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.6 ptpt -79.67 -53.51 6.76 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.451 -1.406 . . . . 0.0 109.724 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.56 24.54 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.595 0.712 . . . . 0.0 110.738 -174.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 m-20 -106.18 130.33 54.08 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 100.507 -3.886 . . . . 0.0 100.507 175.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.626 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.23 36.2 Favored Glycine 0 C--N 1.296 -1.671 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 133.39 34.28 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 123.101 1.429 . . . . 0.0 110.634 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.007 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.1 mt -108.12 132.09 53.95 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.726 -175.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.6 m-85 -111.7 136.74 50.53 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 HD11 ' A' ' 31' ' ' ILE . 16.7 tp -122.78 139.68 53.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.784 -1.823 . . . . 0.0 108.666 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.736 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 4.2 ttm -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.68 -58.53 0.88 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.594 -0.691 . . . . 0.0 111.492 -177.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 9.7 tt0 -86.79 -7.01 58.64 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -173.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HD2' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -160.92 165.61 29.74 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 119.159 -2.213 . . . . 0.0 112.464 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 26' ' ' LEU . 1.2 mm -112.02 134.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.584 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -120.42 149.5 42.27 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.998 -1.064 . . . . 0.0 111.242 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.802 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 18.1 t90 -126.5 143.25 51.26 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.17 0.985 . . . . 0.0 111.147 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.81 108.13 2.88 Favored Pre-proline 0 C--N 1.294 -1.807 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.018 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD3' HG21 ' A' ' 42' ' ' THR . 1.5 Cg_endo . . . . . 0 C--N 1.305 -1.727 0 O-C-N 123.899 1.473 . . . . 0.0 109.613 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.723 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.821 0.343 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.849 HD13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -150.81 160.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.537 -1.265 . . . . 0.0 112.338 -178.077 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 t -167.27 101.66 0.52 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.176 177.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.849 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.08 119.59 39.77 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.07 -1.019 . . . . 0.0 108.795 179.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -69.65 118.69 12.83 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.583 0.706 . . . . 0.0 110.402 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.79 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.7 m-30 -41.12 -45.34 2.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.072 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.06 -34.43 75.15 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 119.889 -1.757 . . . . 0.0 108.431 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' MET . 1.1 m-20 -67.95 -3.91 11.43 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.714 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.87 HG22 HD13 ' A' ' 69' ' ' LEU . 31.4 pt -138.13 134.78 44.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' VAL . 12.2 tptp -136.38 102.84 5.09 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 116.24 -2.184 . . . . 0.0 112.374 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.9 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.17 136.47 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.059 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.659 ' CG ' HD13 ' A' ' 100' ' ' LEU . 19.4 mp0 -143.23 121.02 11.91 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 117.032 -1.867 . . . . 0.0 111.518 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.501 0 CA-C-N 114.272 -1.331 . . . . 0.0 107.968 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 1.025 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.19 -2.043 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.254 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.025 HG23 ' O ' ' A' ' 62' ' ' LYS 0.293 0.0 OUTLIER 93.26 80.16 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-O 123.917 1.818 . . . . 0.0 113.441 177.936 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.39 137.05 54.0 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.935 -1.103 . . . . 0.0 109.274 179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.852 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -132.18 163.44 28.54 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 120.701 -1.249 . . . . 0.0 110.574 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.2 mt-30 -147.15 138.85 24.2 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.885 0.85 . . . . 0.0 110.437 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -141.57 149.09 40.31 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.065 HG22 HG23 ' A' ' 74' ' ' THR . 2.1 t -124.67 157.32 32.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 117.949 -1.5 . . . . 0.0 110.107 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.91 144.1 26.22 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.8 -176.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.9 p80 -45.43 -31.99 1.94 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.24 -154.45 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.039 -1.437 . . . . 0.0 107.714 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.7 52.78 0.62 Allowed Glycine 0 C--N 1.296 -1.645 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.634 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 50.5 m-20 -129.71 133.28 46.96 Favored 'General case' 0 C--N 1.286 -2.178 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.605 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.065 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.07 162.89 13.45 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 43.0 m -137.98 104.38 5.23 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.8 m-20 -109.28 145.33 36.13 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.96 -1.087 . . . . 0.0 108.174 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.19 147.7 28.74 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.153 -1.419 . . . . 0.0 111.221 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.673 ' O ' HG13 ' A' ' 15' ' ' VAL . 63.4 t-80 -138.45 163.22 32.49 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 122.137 0.97 . . . . 0.0 110.315 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.962 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.493 ' C ' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 87' ' ' LYS . 16.9 m -152.87 -136.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.429 -0.794 . . . . 0.0 111.057 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 86' ' ' VAL . 7.8 mttp -34.79 -49.49 0.43 Allowed 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.63 -0.669 . . . . 0.0 112.131 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 1.2 pm0 -48.27 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.478 -1.389 . . . . 0.0 110.122 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.654 ' CB ' HG13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -61.22 -46.56 89.94 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 122.283 1.04 . . . . 0.0 108.254 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 13.6 t0 -55.79 -12.47 1.32 Allowed 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.573 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.03 -37.23 11.21 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 120.999 -1.063 . . . . 0.0 109.666 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.55 ' CG2' ' HA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -70.67 -41.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.711 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -68.45 -43.98 75.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.663 ' C ' HE22 ' A' ' 97' ' ' GLN . 8.4 t70 -58.05 -20.63 40.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.004 ' HG ' HD21 ' A' ' 9' ' ' LEU . 3.7 mm? -92.76 -44.38 8.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.051 -1.03 . . . . 0.0 108.687 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.3 mt -37.16 -68.64 0.14 Allowed 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.416 -0.803 . . . . 0.0 110.643 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.76 -0.65 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.463 -0.773 . . . . 0.0 112.005 179.446 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.53 -37.6 11.83 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.79 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -82.47 -29.82 30.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.103 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.659 HD13 ' CG ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -42.89 -40.28 4.76 Favored Pre-proline 0 C--N 1.303 -1.456 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.27 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 100' ' ' LEU . 36.8 Cg_exo -69.93 2.16 3.88 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 O-C-N 124.621 1.853 . . . . 0.0 112.314 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -43.87 8.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.905 -1.122 . . . . 0.0 112.177 -177.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.659 0 O-C-N 121.189 -0.944 . . . . 0.0 110.284 -176.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG12 ' SD ' ' A' ' 27' ' ' MET . 4.0 m . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 122.215 1.007 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -98.51 -45.61 6.05 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.59 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.96 HD22 HD12 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -159.66 142.85 14.18 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.413 -2.055 . . . . 0.0 110.284 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.34 139.16 36.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.071 -1.018 . . . . 0.0 109.68 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -111.12 106.93 21.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.45 -19.11 13.63 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.401 1.096 . . . . 0.0 109.938 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -116.45 123.3 47.16 Favored 'General case' 0 C--N 1.279 -2.478 0 C-N-CA 119.636 -0.825 . . . . 0.0 109.977 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.895 HG21 ' HB2' ' A' ' 24' ' ' LEU . 2.5 t -151.27 148.91 14.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.153 -1.019 . . . . 0.0 108.559 174.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.7 ttm180 -120.9 146.22 46.84 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.669 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 2.8 pt20 -150.03 130.71 14.05 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -37.02 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.703 -0.623 . . . . 0.0 111.296 -174.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptpt -78.33 -53.87 6.82 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.573 -1.329 . . . . 0.0 110.247 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.669 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.84 168.3 25.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.586 -0.696 . . . . 0.0 110.002 -175.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 8.8 m-20 -106.16 127.66 53.36 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 101.257 -3.608 . . . . 0.0 101.257 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.53 165.63 35.65 Favored Glycine 0 C--N 1.3 -1.431 0 C-N-CA 119.331 -1.414 . . . . 0.0 112.177 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.06 128.58 34.65 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 123.417 1.58 . . . . 0.0 111.893 -175.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.1 mt -107.26 138.77 42.83 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 113.154 -1.839 . . . . 0.0 108.547 -175.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.651 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 5.3 m-85 -118.22 138.24 52.47 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.692 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 31' ' ' ILE . 10.4 tt -114.38 131.56 56.53 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.523 ' HE2' ' CD ' ' A' ' 30' ' ' ARG . 1.4 ttp -121.46 151.59 40.07 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.89 -47.88 0.72 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 122.048 -0.407 . . . . 0.0 110.912 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -109.71 -1.45 18.01 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 120.497 -1.377 . . . . 0.0 112.453 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.597 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -157.71 165.08 36.36 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 119.024 -2.298 . . . . 0.0 113.621 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.657 HD13 ' HA ' ' A' ' 26' ' ' LEU . 2.3 mm -108.39 141.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.736 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -130.66 154.03 48.33 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.946 -1.096 . . . . 0.0 111.319 -178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.839 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 14.2 t90 -123.08 139.19 54.32 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.94 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -152.06 155.78 33.64 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.642 -0.662 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.318 -1.071 0 O-C-N 123.775 1.408 . . . . 0.0 109.575 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.652 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -153.62 155.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.356 179.149 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.3 m -162.41 103.54 1.09 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.614 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.862 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.59 113.6 26.51 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.161 -0.962 . . . . 0.0 108.942 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.597 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -66.75 108.34 2.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 110.258 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.051 ' CE2' HD13 ' A' ' 99' ' ' LEU . 2.7 m-30 -31.48 -45.0 0.08 Allowed 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.417 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -69.09 -43.78 73.81 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 120.18 -1.575 . . . . 0.0 109.651 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' MET . 78.6 m-20 -67.49 -5.6 15.77 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.326 0.584 . . . . 0.0 109.456 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.9 HD11 ' HD1' ' A' ' 47' ' ' TYR . 13.6 pt -127.61 132.91 68.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 tptp -147.14 103.75 3.62 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 119.359 -2.088 . . . . 0.0 112.13 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.874 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.13 120.77 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 176.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG2' HD11 ' A' ' 100' ' ' LEU . 9.7 mp0 -142.33 120.97 12.57 Favored 'General case' 0 C--N 1.279 -2.463 0 C-N-CA 117.139 -1.824 . . . . 0.0 111.708 -175.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.303 -1.427 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.849 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.668 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.867 0 CA-C-O 122.335 1.064 . . . . 0.0 109.435 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.3 OUTLIER -164.36 83.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.285 -2.231 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -176.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -111.08 127.03 55.42 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.722 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -113.0 165.57 12.23 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.548 -1.345 . . . . 0.0 111.527 -178.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -131.37 129.82 41.85 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.722 0.772 . . . . 0.0 110.426 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 4.8 tt -135.11 137.44 42.82 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.927 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -116.19 158.55 16.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-O 122.937 1.351 . . . . 0.0 109.812 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.893 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -91.9 148.34 22.29 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.882 -176.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 8.6 m-70 -44.29 -31.56 1.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -80.15 -143.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.84 53.77 0.63 Allowed Glycine 0 C--N 1.3 -1.443 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.583 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.9 m-20 -127.97 135.9 50.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.831 -0.805 . . . . 0.0 109.045 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.927 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.69 151.45 26.16 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.869 0.842 . . . . 0.0 110.046 -178.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.594 HG21 ' CE1' ' A' ' 45' ' ' HIS . 11.7 m -122.7 110.91 16.09 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.95 131.96 54.59 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.75 -1.219 . . . . 0.0 109.176 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.102 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -138.26 160.84 38.43 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.922 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.698 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 57.7 t-80 -143.34 169.69 17.19 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.856 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.731 ' HE2' HG21 ' A' ' 12' ' ' VAL . 65.5 m-85 . . . . . 0 C--N 1.297 -1.676 0 O-C-N 121.246 -0.909 . . . . 0.0 108.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.596 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 87' ' ' LYS . 33.0 m -134.33 -125.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 O-C-N 119.661 -1.9 . . . . 0.0 112.34 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.517 ' N ' HG23 ' A' ' 86' ' ' VAL . 4.9 mttm -33.98 -48.29 0.3 Allowed 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.384 -0.822 . . . . 0.0 110.725 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -46.68 -68.03 0.23 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 122.588 1.185 . . . . 0.0 109.428 178.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.645 ' HB2' HG21 ' A' ' 63' ' ' ILE . 2.1 mmt180 -59.47 -58.76 7.18 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -36.92 -37.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.764 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -67.7 -54.34 20.26 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 12' ' ' VAL . 7.1 t -41.39 -52.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 C-N-CA 119.708 -0.797 . . . . 0.0 108.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -53.38 -56.96 12.48 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.632 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 22.9 t70 -37.88 -62.87 0.51 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.96 HD12 HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -44.88 -52.93 8.12 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.4 mt -39.86 -65.4 0.4 Allowed 'General case' 0 C--N 1.315 -0.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.491 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.646 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.61 -3.35 14.6 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.033 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -86.59 -31.59 21.09 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -91.85 -25.53 18.92 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 53' ' ' GLN . 14.1 mt -43.46 -31.09 0.52 Allowed Pre-proline 0 C--N 1.304 -1.371 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 51.0 Cg_exo -70.37 -35.75 10.32 Favored 'Trans proline' 0 C--N 1.301 -1.968 0 O-C-N 124.439 1.757 . . . . 0.0 111.766 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 99' ' ' LEU . 16.8 mttt -56.41 -33.86 66.19 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.961 -1.087 . . . . 0.0 111.844 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.723 0 C-N-CA 118.528 -1.269 . . . . 0.0 110.223 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.87 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.659 0.742 . . . . 0.0 109.174 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD2' HD23 ' A' ' 95' ' ' LEU . 57.2 tp -98.88 -42.6 7.08 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.586 -0.846 . . . . 0.0 112.495 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 11' ' ' ILE . 7.1 tt -170.61 160.29 7.11 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 119.383 -2.073 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.725 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.19 143.01 30.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.804 0.811 . . . . 0.0 109.943 179.278 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.818 HG13 ' NH1' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -125.65 126.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.027 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -70.11 -82.63 0.04 OUTLIER 'General case' 0 C--O 1.188 -2.177 0 C-N-CA 117.267 -1.773 . . . . 0.0 109.352 -178.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 15' ' ' VAL . 38.9 tptt -49.18 124.42 8.95 Favored 'General case' 0 C--N 1.273 -2.755 0 O-C-N 119.674 -1.891 . . . . 0.0 112.278 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.076 HG21 ' HB2' ' A' ' 24' ' ' LEU . 38.8 t -150.8 150.78 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.127 172.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 4.9 tpp180 -126.4 125.36 42.06 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.884 0.85 . . . . 0.0 109.863 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.632 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.6 pt20 -129.42 133.84 47.54 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.21 -23.33 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.872 -0.517 . . . . 0.0 111.344 -173.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.637 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -77.28 -55.7 5.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.504 -1.372 . . . . 0.0 109.796 177.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 tp-100 -151.64 168.61 24.44 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.345 -172.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -105.29 130.31 53.44 Favored 'General case' 0 C--N 1.295 -1.778 1 N-CA-C 99.176 -4.379 . . . . 0.0 99.176 175.769 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.96 166.21 36.16 Favored Glycine 0 C--N 1.293 -1.828 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.027 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.29 139.12 31.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 122.983 1.373 . . . . 0.0 111.777 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.076 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.6 mt -108.91 130.92 55.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.82 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.672 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.3 m-85 -112.58 139.54 48.08 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -123.57 138.96 54.45 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 119.832 -1.792 . . . . 0.0 108.592 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.87 ' SD ' HG12 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -128.99 149.23 50.91 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.054 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -40.98 -58.49 1.71 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.326 -0.859 . . . . 0.0 110.047 -178.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tp10 -87.12 -6.21 58.74 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 113.11 -175.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.577 ' CZ ' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -158.65 164.36 36.05 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 119.166 -2.209 . . . . 0.0 112.905 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.723 HD11 HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -110.74 131.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -118.83 150.99 38.9 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 121.075 -1.016 . . . . 0.0 110.999 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.882 ' N ' HG22 ' A' ' 43' ' ' ILE . 22.6 t90 -129.94 142.33 50.66 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.842 0.829 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.44 114.29 3.05 Favored Pre-proline 0 C--N 1.294 -1.814 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.571 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 O-C-N 123.95 1.5 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.677 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.762 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.882 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.32 158.9 4.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.832 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -168.1 101.86 0.45 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.094 177.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.836 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.88 121.97 46.46 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.017 -1.052 . . . . 0.0 109.906 179.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.42 110.34 3.07 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.298 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.862 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -34.14 -37.83 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 112.003 -177.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 120.064 -1.647 . . . . 0.0 107.811 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.612 ' C ' HD13 ' A' ' 50' ' ' ILE . 9.0 m-20 -59.65 -5.98 1.03 Allowed 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.183 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.6 112.9 33.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.661 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 1.2 tmtt? -130.05 103.1 6.56 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 116.349 -2.14 . . . . 0.0 112.613 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.822 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.42 133.38 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.964 ' HG2' HD22 ' A' ' 100' ' ' LEU . 4.2 mp0 -143.67 128.01 17.81 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 117.062 -1.855 . . . . 0.0 112.185 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.301 -1.541 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.695 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.193 -1.883 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.194 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER 87.07 80.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 120.935 1.698 . . . . 0.0 112.931 178.197 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -133.41 133.27 42.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.49 179.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.783 ' HG ' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -119.93 166.85 12.78 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.833 -1.167 . . . . 0.0 110.519 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -145.72 126.4 14.28 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.465 -0.772 . . . . 0.0 109.657 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -136.58 150.28 48.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.822 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.3 t -120.78 158.0 23.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 C-N-CA 118.169 -1.412 . . . . 0.0 111.374 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -85.29 144.83 27.85 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 114.324 -1.307 . . . . 0.0 108.018 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.3 p80 -48.95 -36.1 16.63 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.55 -152.77 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.574 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.87 54.51 0.55 Allowed Glycine 0 C--N 1.299 -1.474 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.664 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 m-20 -129.41 139.23 51.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.881 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.761 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.43 157.85 18.05 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.509 ' CB ' HD23 ' A' ' 67' ' ' LEU . 1.4 m -127.66 105.89 8.78 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m120 -111.77 139.8 46.95 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.668 -1.27 . . . . 0.0 108.439 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.017 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.23 142.47 24.17 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.698 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' A' ' 79' ' ' PHE . 6.8 t-80 -141.31 163.48 32.84 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 122.16 0.981 . . . . 0.0 111.971 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.398 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.746 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -151.71 -153.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 120.55 -1.343 . . . . 0.0 111.877 -178.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.55 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -37.82 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.394 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -47.85 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.601 -1.312 . . . . 0.0 109.286 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.818 ' NH1' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.55 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -54.63 -13.35 0.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.574 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.39 -32.32 12.42 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.4 t -58.93 -52.46 60.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.713 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.1 tttm -56.76 -50.3 72.67 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CA ' HE22 ' A' ' 97' ' ' GLN . 17.3 t70 -47.65 -22.19 0.47 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 121.181 0.515 . . . . 0.0 109.727 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 ' CD2' ' A' ' 9' ' ' LEU . 6.2 mp -88.83 -49.7 6.66 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.783 HD13 ' HG ' ' A' ' 65' ' ' LEU . 21.8 mt -37.27 -68.37 0.15 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.898 0.856 . . . . 0.0 111.381 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.713 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.14 -0.86 0.83 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.532 -0.73 . . . . 0.0 110.122 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -91.72 -38.93 12.1 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.852 -1.155 . . . . 0.0 108.451 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.862 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.86 -28.45 26.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.964 HD22 ' HG2' ' A' ' 53' ' ' GLN . 12.8 mt -47.33 -34.9 5.26 Favored Pre-proline 0 C--N 1.304 -1.399 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 32.2 Cg_exo -74.49 -0.26 9.51 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 O-C-N 124.401 1.737 . . . . 0.0 111.354 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 99' ' ' LEU . 6.6 tttt -87.32 -41.96 13.25 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.847 . . . . 0.0 111.422 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.739 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.434 -0.791 . . . . 0.0 109.473 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.587 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.627 0.727 . . . . 0.0 109.522 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.954 ' HG ' HD13 ' A' ' 95' ' ' LEU . 12.7 tp -98.59 -41.71 7.61 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.639 -0.824 . . . . 0.0 112.582 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -174.07 159.05 3.2 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 119.241 -2.162 . . . . 0.0 111.385 179.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.48 141.83 32.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.465 0.65 . . . . 0.0 110.017 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.775 HG21 HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -124.05 126.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.606 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.012 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 36.9 tttt -63.87 -82.45 0.02 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 117.629 -1.628 . . . . 0.0 109.093 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -49.15 123.82 7.93 Favored 'General case' 0 C--N 1.272 -2.782 0 O-C-N 119.83 -1.794 . . . . 0.0 112.16 -176.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.025 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.09 146.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 10.0 tpp180 -122.56 134.61 54.53 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.635 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.8 pt20 -139.67 134.72 32.39 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mtpp -36.17 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.992 -0.442 . . . . 0.0 111.544 -173.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -83.2 -53.28 5.89 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.36 -1.462 . . . . 0.0 110.081 177.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.67 24.2 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.478 0.656 . . . . 0.0 111.006 -174.227 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.625 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.79 131.34 53.24 Favored 'General case' 0 C--N 1.298 -1.646 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 175.536 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.1 166.46 36.35 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.012 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.24 136.95 33.29 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 122.878 1.323 . . . . 0.0 110.915 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.025 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -108.69 133.82 52.26 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.749 -175.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.612 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.8 m-85 -113.95 138.76 49.9 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 92' ' ' VAL . 1.4 mp -117.08 135.89 53.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.126 -1.609 . . . . 0.0 108.29 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.587 ' SD ' HG12 ' A' ' 8' ' ' VAL . 9.8 ttm -126.02 143.49 51.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.38 -57.61 2.96 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.276 -0.89 . . . . 0.0 109.176 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.9 tt0 -85.42 -6.2 59.23 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.688 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -164.0 165.04 22.91 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 119.393 -2.067 . . . . 0.0 111.72 179.131 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.59 HG13 ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -109.02 135.45 47.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -121.38 146.82 46.48 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.121 -0.987 . . . . 0.0 111.278 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.906 ' N ' HG22 ' A' ' 43' ' ' ILE . 21.8 t90 -126.59 143.3 51.26 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.998 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.535 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.06 120.75 3.6 Favored Pre-proline 0 C--N 1.297 -1.702 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.019 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 42' ' ' THR . 2.7 Cg_endo . . . . . 0 C--N 1.307 -1.644 0 O-C-N 123.904 1.476 . . . . 0.0 110.25 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.656 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.906 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -151.7 159.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 C-N-CA 119.036 -1.066 . . . . 0.0 111.793 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.1 t -167.79 102.39 0.48 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.781 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.86 121.5 45.38 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 120.933 -1.104 . . . . 0.0 109.311 179.03 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.76 118.07 12.16 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.794 179.392 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CE2' HD13 ' A' ' 99' ' ' LEU . 5.0 m-30 -40.65 -45.44 2.36 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.632 -0.667 . . . . 0.0 110.475 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.26 -33.95 74.03 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 120.001 -1.687 . . . . 0.0 108.253 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.558 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.7 m-20 -67.57 -4.1 10.73 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.525 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.864 HG22 HD13 ' A' ' 69' ' ' LEU . 39.4 pt -138.67 136.26 43.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.558 -0.714 . . . . 0.0 109.084 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 2.8 tmtt? -141.25 103.37 4.42 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 116.319 -2.152 . . . . 0.0 112.846 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.681 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 8.7 t 172.55 133.33 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.765 ' HB3' HD21 ' A' ' 100' ' ' LEU . 11.3 mp0 -144.0 127.63 17.09 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 117.234 -1.787 . . . . 0.0 111.754 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.302 -1.483 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 1.21 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.192 -1.951 0 CA-C-O 117.78 -1.105 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.21 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER 85.55 81.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 122.688 1.233 . . . . 0.0 114.251 179.123 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 131.24 52.03 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.531 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.865 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.99 167.29 16.1 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 120.845 -1.159 . . . . 0.0 109.626 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 121.108 -0.995 . . . . 0.0 111.008 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -135.31 152.41 51.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.063 HG22 HG23 ' A' ' 74' ' ' THR . 3.3 t -128.23 158.18 40.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 C-N-CA 117.923 -1.511 . . . . 0.0 110.865 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -90.53 142.69 27.48 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.993 -177.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.2 p80 -46.14 -31.39 2.37 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.48 -154.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.53 51.63 0.69 Allowed Glycine 0 C--N 1.297 -1.621 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.611 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 42.1 m-20 -129.33 132.04 47.03 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.063 HG23 HG22 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.66 161.84 14.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.058 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.1 m -134.65 104.68 6.15 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.5 m-20 -109.6 146.37 34.84 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.859 -1.151 . . . . 0.0 108.21 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -147.65 147.93 30.52 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.208 -1.397 . . . . 0.0 110.625 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -141.21 165.54 27.25 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 122.165 0.984 . . . . 0.0 110.356 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.897 ' CD2' HG22 ' A' ' 15' ' ' VAL . 54.0 m-85 . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 87' ' ' LYS . 93.8 t -131.11 -95.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 119.368 -2.082 . . . . 0.0 110.541 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 90' ' ' ASP . 6.0 mtmt -35.56 -70.31 0.09 Allowed 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.357 -0.839 . . . . 0.0 111.861 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -35.91 -65.91 0.23 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.981 0.895 . . . . 0.0 109.806 -178.058 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.662 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.8 mmt180 -56.83 -39.62 74.56 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.665 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.5 t0 -54.61 -16.21 2.29 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -94.22 -36.83 11.84 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.875 HG13 HD22 ' A' ' 26' ' ' LEU . 7.0 t -57.77 -55.21 22.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.5 tttm -55.15 -53.01 61.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.585 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 t0 -39.91 -26.69 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.954 HD13 ' HG ' ' A' ' 9' ' ' LEU . 1.3 mt -84.57 -47.81 10.18 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.818 ' O ' HD13 ' A' ' 100' ' ' LEU . 3.0 mt -37.69 -61.01 0.66 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.571 0.7 . . . . 0.0 110.368 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.22 -2.19 9.87 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.913 -178.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.76 -31.26 12.74 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.32 -0.863 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.06 -31.97 14.65 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.887 -1.133 . . . . 0.0 109.019 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 96' ' ' LEU . 5.8 mp -47.07 -38.1 12.1 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.7 Cg_exo -68.7 -3.33 11.01 Favored 'Trans proline' 0 C--N 1.301 -1.924 0 O-C-N 124.443 1.759 . . . . 0.0 111.487 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 3.6 tttt -87.34 -42.88 12.55 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.205 -0.934 . . . . 0.0 111.774 -178.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.611 0 O-C-N 121.409 -0.807 . . . . 0.0 110.249 -176.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.2 m . . . . . 0 C--O 1.215 -0.749 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 95' ' ' LEU . 18.2 tp -99.08 -40.83 7.82 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.318 -0.953 . . . . 0.0 113.182 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 10.3 tp -167.05 163.86 15.85 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 119.095 -2.253 . . . . 0.0 111.757 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.25 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.941 HG21 ' HE2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -126.26 101.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 CA-C-O 122.323 1.059 . . . . 0.0 110.804 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.797 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -51.71 -18.32 1.18 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.057 179.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.0 tptt -115.17 114.79 25.74 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.956 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.1 t -150.64 147.61 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 C-N-CA 118.003 -1.479 . . . . 0.0 110.227 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 11.6 tpp180 -125.35 128.98 49.02 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.63 ' HG2' ' H ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -134.55 138.44 44.62 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.39 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.005 -0.434 . . . . 0.0 111.447 -174.224 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.635 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -81.13 -56.83 3.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.376 -1.453 . . . . 0.0 109.705 177.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.2 mm-40 -151.66 169.01 23.21 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.845 0.831 . . . . 0.0 111.218 -173.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.51 133.05 50.9 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 100.366 -3.939 . . . . 0.0 100.366 176.492 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.19 36.18 Favored Glycine 0 C--N 1.294 -1.768 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.79 137.38 33.22 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 122.804 1.288 . . . . 0.0 109.104 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.112 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -108.32 134.66 50.83 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.377 -175.018 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.694 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.1 m-85 -110.99 137.53 48.5 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 99' ' ' LEU . 7.1 tt -119.22 136.38 54.24 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 119.92 -1.738 . . . . 0.0 107.305 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.762 ' CE ' HG12 ' A' ' 8' ' ' VAL . 7.8 ttt -129.85 142.89 50.6 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -42.14 -56.79 2.74 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.115 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.521 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.3 tp10 -86.07 -8.86 57.6 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.919 -175.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -160.62 162.95 32.93 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.33 -2.106 . . . . 0.0 111.882 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.687 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -109.72 128.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -113.53 155.68 24.94 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.344 -0.848 . . . . 0.0 110.512 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.94 ' O ' HG22 ' A' ' 42' ' ' THR . 25.9 t90 -138.16 140.81 40.01 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.813 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.62 135.83 10.12 Favored Pre-proline 0 C--N 1.294 -1.836 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.821 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.314 -1.285 0 O-C-N 123.888 1.467 . . . . 0.0 108.522 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 1.006 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.3 t . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.006 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -142.69 171.72 9.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 O-C-N 120.93 -1.107 . . . . 0.0 109.836 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -162.03 115.22 1.8 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 120.889 -1.132 . . . . 0.0 110.266 -178.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.07 108.82 3.71 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -39.15 -41.75 0.87 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.743 -0.598 . . . . 0.0 110.846 -178.395 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . . . -66.18 -46.23 78.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.159 -1.588 . . . . 0.0 108.229 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' MET . 3.0 m-20 -47.29 -31.39 3.79 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.0 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.9 pp -109.55 153.32 11.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.386 -177.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.63 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 9.1 tptt -144.57 102.99 3.89 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 117.489 -1.684 . . . . 0.0 110.907 177.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.873 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.19 128.72 0.02 OUTLIER 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 67' ' ' LEU . 10.6 mm-40 -144.09 125.27 14.57 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 117.755 -1.578 . . . . 0.0 110.84 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.901 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.93 HD13 ' C ' ' A' ' 89' ' ' ARG 0.326 0.0 OUTLIER 75.31 83.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 123.859 1.79 . . . . 0.0 113.041 178.971 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HB3' ' HD2' ' A' ' 78' ' ' HIS . 0.2 OUTLIER -124.01 134.65 53.4 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.887 -1.96 . . . . 0.0 108.232 178.57 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.58 163.56 23.14 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.542 -1.349 . . . . 0.0 110.06 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -146.09 131.61 18.76 Favored 'General case' 0 C--N 1.314 -0.94 0 O-C-N 121.301 -0.875 . . . . 0.0 111.218 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.0 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -136.27 150.21 48.83 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -178.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 74' ' ' THR . 2.0 t -128.3 157.82 40.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 123.268 1.508 . . . . 0.0 111.405 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -90.07 146.66 24.16 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.558 -176.561 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.63 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 80.7 m-70 -45.6 -32.5 2.36 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.33 -154.28 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.373 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.81 51.79 0.68 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.1 t0 -128.79 128.67 44.42 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 68' ' ' VAL . 6.6 m -108.5 163.28 13.36 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 9.7 m -128.14 112.5 14.62 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -109.45 136.09 49.42 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.112 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -145.72 143.96 30.07 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.74 ' NE2' ' HG2' ' A' ' 62' ' ' LYS . 60.8 t-80 -141.4 164.06 31.25 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.144 0.973 . . . . 0.0 110.89 -177.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.941 ' HE2' HG21 ' A' ' 12' ' ' VAL . 22.5 m-85 . . . . . 0 C--N 1.289 -2.054 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.755 0 CA-C-O 122.811 1.291 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.731 HG22 ' OE2' ' A' ' 88' ' ' GLU . 13.1 m -150.98 -143.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.583 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -40.48 -56.23 2.1 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 121.447 -0.783 . . . . 0.0 110.873 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.731 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -38.95 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.236 1.017 . . . . 0.0 110.443 -179.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.93 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.6 mmt180 -56.65 -42.27 78.65 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 87' ' ' LYS . 4.0 t70 -54.86 -13.05 0.93 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.583 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -95.55 -37.94 10.65 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.908 HG21 HG11 ' A' ' 12' ' ' VAL . 13.4 t -58.19 -50.97 76.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 ttpp -56.86 -50.87 71.16 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . 35.7 t70 -41.08 -29.18 0.11 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.2 mt -85.06 -43.72 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.902 ' HA ' HD11 ' A' ' 99' ' ' LEU . 20.7 mt -38.67 -66.13 0.3 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.223 1.011 . . . . 0.0 110.186 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.852 ' HA ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -60.79 -2.08 0.5 Allowed 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.514 -0.741 . . . . 0.0 110.671 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -103.3 -23.79 13.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.955 -1.091 . . . . 0.0 110.167 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -92.6 -34.98 13.8 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 120.85 -1.156 . . . . 0.0 109.437 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -48.87 -36.26 12.61 Favored Pre-proline 0 C--N 1.305 -1.334 0 C-N-CA 118.559 -1.257 . . . . 0.0 108.385 -178.06 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD3' ' CG ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -70.58 -11.04 29.13 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.287 1.677 . . . . 0.0 111.424 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.49 -47.64 19.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 111.164 -178.543 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.72 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 O-C-N 121.568 -0.708 . . . . 0.0 110.408 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 ' SD ' ' A' ' 27' ' ' MET . 2.6 m . . . . . 0 C--O 1.215 -0.757 0 CA-C-O 121.536 0.684 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 33.5 tp -98.46 -28.92 13.4 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 112.813 -176.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' LEU . 29.5 tp -177.48 145.13 0.42 Allowed 'General case' 0 C--O 1.208 -1.113 0 O-C-N 119.283 -2.136 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.686 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.1 141.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.38 -0.825 . . . . 0.0 109.675 179.568 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.7 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.8 OUTLIER -116.67 103.92 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 121.911 0.862 . . . . 0.0 108.949 178.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.73 -18.79 9.05 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.242 1.02 . . . . 0.0 110.241 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.4 tptp -113.61 118.65 34.99 Favored 'General case' 0 C--N 1.278 -2.513 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.063 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 24' ' ' LEU . 4.9 t -151.07 148.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.361 174.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 2.1 ttm180 -122.86 146.11 47.85 Favored 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.641 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 3.4 pt20 -148.25 133.87 18.8 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.72 -23.64 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.196 0 O-C-N 121.766 -0.584 . . . . 0.0 111.116 -174.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -79.54 -55.36 5.1 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.561 -1.337 . . . . 0.0 110.181 178.102 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.641 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 45.7 mm-40 -151.75 168.7 24.21 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.527 0.68 . . . . 0.0 110.196 -175.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -105.97 128.42 53.8 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 101.924 -3.362 . . . . 0.0 101.924 176.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.559 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.67 165.77 35.79 Favored Glycine 0 C--N 1.299 -1.492 0 C-N-CA 119.902 -1.142 . . . . 0.0 111.355 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.27 131.9 34.68 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 123.287 1.517 . . . . 0.0 111.138 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.048 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -107.57 135.46 48.99 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.367 -1.742 . . . . 0.0 108.499 -175.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.68 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 3.6 m-85 -115.75 136.35 53.14 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 27' ' ' MET . 1.5 tt -112.91 132.03 55.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.138 -1.601 . . . . 0.0 106.754 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.697 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.2 ttp -122.73 152.25 40.77 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.71 -55.19 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.03 -0.419 . . . . 0.0 110.906 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 tt0 -104.7 -0.41 27.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.42 -1.425 . . . . 0.0 112.389 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -155.29 162.65 40.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 119.191 -2.193 . . . . 0.0 113.427 -178.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.2 mt -109.65 131.71 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.415 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -115.72 160.72 19.7 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.944 0.878 . . . . 0.0 110.761 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 21.4 t90 -136.53 145.41 45.03 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.322 1.058 . . . . 0.0 110.942 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.9 104.68 3.02 Favored Pre-proline 0 C--N 1.29 -1.995 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.796 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 33' ' ' TRP . 1.5 Cg_endo . . . . . 0 C--N 1.304 -1.766 0 O-C-N 124.193 1.628 . . . . 0.0 110.587 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 121.015 0.436 . . . . 0.0 109.849 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.851 HD12 ' CE1' ' A' ' 45' ' ' HIS . 2.7 pt -150.61 177.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 118.905 -1.118 . . . . 0.0 112.454 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -168.83 114.3 0.6 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.851 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.12 120.1 41.5 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.814 -1.179 . . . . 0.0 110.024 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.538 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -65.64 104.43 1.03 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.695 -0.628 . . . . 0.0 109.601 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.023 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -29.04 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.194 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -66.82 -46.17 76.02 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.123 -1.61 . . . . 0.0 108.874 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' MET . 76.3 m-20 -62.32 -12.38 20.65 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -111.33 118.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB2' ' NE2' ' A' ' 70' ' ' HIS . 24.5 tptp -137.9 102.72 4.79 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 116.154 -2.219 . . . . 0.0 112.064 178.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.876 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 171.92 125.63 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.869 ' HG3' HD13 ' A' ' 100' ' ' LEU . 1.8 mt-30 -142.51 122.65 13.75 Favored 'General case' 0 C--N 1.281 -2.38 0 C-N-CA 116.947 -1.901 . . . . 0.0 111.575 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tttt . . . . . 0 C--N 1.303 -1.443 0 CA-C-N 113.395 -1.729 . . . . 0.0 108.094 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.641 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.819 0 CA-C-O 122.356 1.074 . . . . 0.0 109.675 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.732 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -158.28 84.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.346 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -175.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -109.12 131.25 55.25 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.916 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.08 165.98 14.55 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.802 -1.186 . . . . 0.0 111.313 -178.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -133.7 130.44 38.16 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.784 0.802 . . . . 0.0 110.529 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.072 HD21 HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -134.46 130.37 36.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.0 t -109.95 158.37 10.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 122.955 1.359 . . . . 0.0 110.334 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -88.33 147.79 24.6 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.625 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 9.5 m-70 -46.9 -31.43 3.11 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -77.89 -149.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.095 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 52.94 0.6 Allowed Glycine 0 C--N 1.302 -1.354 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.586 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 m-20 -127.98 141.06 51.63 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.235 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -109.02 155.07 21.33 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.829 0.824 . . . . 0.0 109.546 -178.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -130.71 104.41 7.17 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -110.91 139.44 46.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.788 -1.195 . . . . 0.0 109.512 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 1.048 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.79 153.73 44.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.625 1.203 . . . . 0.0 111.013 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.697 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -135.28 168.96 18.21 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.678 -1.147 . . . . 0.0 109.104 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.056 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 91.4 m-85 . . . . . 0 C--N 1.296 -1.751 0 O-C-N 121.331 -0.856 . . . . 0.0 109.613 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--O 1.215 -0.739 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 87' ' ' LYS . 29.0 m -142.34 -123.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 119.279 -2.138 . . . . 0.0 112.62 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 tttt -34.21 -51.88 0.45 Allowed 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.494 -0.753 . . . . 0.0 110.722 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -41.68 -61.06 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.016 0.913 . . . . 0.0 109.767 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 1.9 mmp_? -64.52 -48.51 74.85 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 9.9 t0 -37.96 -45.23 0.86 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -66.97 -48.94 66.96 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.056 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 24.4 t -41.18 -58.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.662 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.0 ttpp -63.79 -31.8 73.1 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.586 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.6 t70 -64.04 -13.6 48.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.481 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 2.5 mm? -99.8 -47.12 5.16 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.3 mt -45.26 -66.09 0.45 Allowed 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.704 -0.622 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -62.23 -1.77 0.82 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.941 -1.099 . . . . 0.0 110.807 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.448 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -94.06 -38.66 11.02 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.861 -1.149 . . . . 0.0 109.199 179.635 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.11 -27.69 32.68 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 121.118 -0.989 . . . . 0.0 108.469 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.869 HD13 ' HG3' ' A' ' 53' ' ' GLN . 4.3 tp -43.65 -33.84 1.07 Allowed Pre-proline 0 C--N 1.31 -1.15 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 40.7 Cg_exo -76.27 -34.79 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.651 1.869 . . . . 0.0 110.537 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -49.23 -35.05 16.34 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.592 -0.692 . . . . 0.0 110.875 -179.474 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.082 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.34 -18.25 14.93 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.263 -0.898 . . . . 0.0 109.432 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -62.93 1.47 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.269 -0.894 . . . . 0.0 109.409 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' A' ' 5' ' ' SER . 1.3 t -150.22 -92.75 0.07 Allowed 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.25 -0.906 . . . . 0.0 109.499 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.494 ' N ' ' OG ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -138.5 -178.67 5.4 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.283 -0.886 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.74 161.43 10.12 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.179 -0.951 . . . . 0.0 109.426 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.2 110.68 17.31 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.477 -0.764 . . . . 0.0 109.177 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 26' ' ' LEU . 3.4 p -98.92 154.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 120.745 -1.222 . . . . 0.0 109.349 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD23 HD21 ' A' ' 26' ' ' LEU . 61.8 tp -99.13 -51.34 3.86 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.424 -0.797 . . . . 0.0 112.504 -177.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 52.6 tp -158.79 160.4 36.24 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 119.58 -1.95 . . . . 0.0 110.626 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -139.48 139.27 39.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 O-C-N 121.305 -0.872 . . . . 0.0 109.358 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 92' ' ' VAL . 9.8 m -122.0 102.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.927 0.87 . . . . 0.0 109.498 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.67 -18.56 12.65 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.844 0.83 . . . . 0.0 110.998 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -116.08 117.52 30.33 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.522 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.987 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.81 149.8 13.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.134 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -123.81 131.23 53.55 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.633 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 10.7 pt20 -138.63 136.62 36.12 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLN . 39.3 mttp -36.47 -23.69 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.91 -0.494 . . . . 0.0 111.095 -174.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -79.54 -57.51 3.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.524 -1.36 . . . . 0.0 109.65 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.631 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -151.92 169.34 22.54 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.689 0.757 . . . . 0.0 111.015 -174.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.609 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -105.55 129.76 53.75 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 100.265 -3.976 . . . . 0.0 100.265 176.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.605 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.73 165.99 35.92 Favored Glycine 0 C--N 1.296 -1.688 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.37 138.24 32.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 123.304 1.526 . . . . 0.0 110.561 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.111 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.3 mt -108.03 130.31 55.08 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.231 -1.804 . . . . 0.0 110.141 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.669 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -112.69 134.69 54.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.762 HD21 HD23 ' A' ' 9' ' ' LEU . 6.9 tp -114.74 130.74 56.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 119.575 -1.953 . . . . 0.0 107.439 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.552 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.72 153.57 31.13 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -38.23 -56.05 1.25 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.75 -0.594 . . . . 0.0 111.293 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tt0 -103.95 8.84 36.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 120.195 -1.566 . . . . 0.0 112.373 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG2' ' HB3' ' A' ' 27' ' ' MET . 0.3 OUTLIER -157.86 165.2 35.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 119.403 -2.06 . . . . 0.0 112.918 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -111.67 124.38 68.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.714 ' HB1' ' CG ' ' A' ' 41' ' ' PHE . . . -109.97 156.95 19.81 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.117 -0.989 . . . . 0.0 111.248 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 23.5 t90 -135.79 145.61 46.71 Favored 'General case' 0 C--O 1.199 -1.592 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.343 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.109 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.81 162.09 28.11 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.701 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.518 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.3 Cg_endo -113.04 -173.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.918 1.483 . . . . 0.0 108.419 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -48.04 96.64 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.867 -1.145 . . . . 0.0 109.015 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -140.97 -128.43 2.41 Favored Glycine 0 C--O 1.215 -1.081 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.22 -100.08 0.38 Allowed 'General case' 0 C--N 1.308 -1.23 0 O-C-N 121.23 -1.159 . . . . 0.0 109.951 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.88 21.29 3.06 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 120.885 -1.134 . . . . 0.0 109.878 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -111.55 -159.67 0.69 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.162 -0.961 . . . . 0.0 108.791 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.109 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -140.04 147.13 39.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.595 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 33' ' ' TRP . 1.5 t -65.33 -33.12 75.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.897 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.758 HG23 HG23 ' A' ' 42' ' ' THR . 1.2 pp -147.51 177.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 O-C-N 121.189 -0.944 . . . . 0.0 111.258 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -166.68 119.9 1.03 Allowed 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.637 ' CE1' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.3 118.64 37.23 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 120.885 -1.135 . . . . 0.0 109.043 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.54 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -67.52 118.68 11.16 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.766 0.793 . . . . 0.0 110.259 -179.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.921 ' CE2' HD13 ' A' ' 99' ' ' LEU . 8.0 m-30 -40.61 -46.44 2.55 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.86 -0.525 . . . . 0.0 110.207 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -32.31 71.37 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.177 -1.577 . . . . 0.0 108.585 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 1.3 m-20 -68.94 -4.31 16.14 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.448 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HD22 ' A' ' 67' ' ' LEU . 36.4 pt -138.87 142.35 34.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.513 -0.742 . . . . 0.0 109.23 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CE ' ' HE2' ' A' ' 104' ' ' LYS . 21.6 tptp -144.67 103.56 3.94 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 119.413 -2.054 . . . . 0.0 112.961 178.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.661 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 10.5 t 172.61 132.01 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 175.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.779 ' NE2' HD13 ' A' ' 100' ' ' LEU . 37.4 mt-30 -144.0 125.17 14.54 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 117.359 -1.736 . . . . 0.0 111.439 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.68 127.78 45.69 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 93' ' ' LYS . 10.6 mm -108.8 103.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.925 -1.11 . . . . 0.0 108.218 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.675 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -115.95 23.51 0.09 OUTLIER Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.835 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 4.7 Cg_endo -119.61 63.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.318 -1.066 0 C-N-CA 114.235 -3.377 . . . . 0.0 112.177 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -106.29 -40.65 5.55 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -143.71 49.82 0.7 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 106.152 -2.779 . . . . 0.0 106.152 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.606 ' CG ' ' O ' ' A' ' 56' ' ' SER . 9.9 mmtt -115.82 -175.41 2.72 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.248 -1.148 . . . . 0.0 113.244 -176.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -30.43 -72.65 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.207 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -168.59 42.88 0.04 OUTLIER 'General case' 0 C--O 1.196 -1.741 0 C-N-CA 118.501 -1.28 . . . . 0.0 112.05 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.835 ' HA ' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER 89.19 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-O 123.196 1.474 . . . . 0.0 114.405 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 2.4 pt20 -129.45 129.83 45.13 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.021 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.782 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.1 165.47 12.87 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.883 -1.136 . . . . 0.0 110.069 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.92 132.03 20.43 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.386 -0.822 . . . . 0.0 110.735 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -136.96 151.84 49.47 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -125.76 158.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.296 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.892 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.68 143.35 26.82 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.655 -177.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.0 p80 -45.47 -31.67 1.85 Allowed 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -73.38 -153.71 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.44 51.8 0.68 Allowed Glycine 0 C--N 1.298 -1.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.626 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -129.61 132.77 46.85 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.455 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.093 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.41 162.93 13.48 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -133.61 107.1 7.78 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 3.4 m-20 -110.41 138.05 47.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.901 -1.124 . . . . 0.0 108.191 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.111 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.64 150.86 40.8 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.09 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.652 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 61.8 t-80 -143.08 152.74 42.19 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.451 1.119 . . . . 0.0 111.015 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 22.6 m-85 -127.87 136.88 52.0 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.886 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -177.25 143.48 0.39 Allowed 'General case' 0 C--N 1.312 -1.045 0 O-C-N 118.648 -2.533 . . . . 0.0 109.687 177.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.585 ' HB2' ' CB ' ' A' ' 84' ' ' THR . 6.4 m-80 -151.36 -175.57 5.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.52 -37.09 47.66 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 m -151.23 21.71 0.75 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.537 -0.727 . . . . 0.0 110.739 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.585 ' CB ' ' HB2' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -108.86 13.23 25.0 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.393 -1.442 . . . . 0.0 110.42 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.886 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -92.94 70.7 4.65 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 120.583 -1.323 . . . . 0.0 107.668 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.26 -140.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 O-C-N 121.2 -0.938 . . . . 0.0 112.012 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 mttm -35.01 -53.5 0.58 Allowed 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.732 -0.605 . . . . 0.0 111.924 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -38.58 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 122.989 1.376 . . . . 0.0 109.693 -179.251 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.799 ' HG3' HD11 ' A' ' 63' ' ' ILE . 6.2 mmt180 -59.3 -41.17 88.35 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 3.8 t0 -40.95 -59.02 1.55 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.551 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -61.56 -36.09 79.63 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.405 -0.809 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 38.9 t -49.52 -67.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.658 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -49.45 -48.89 47.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.551 ' CB ' ' HA ' ' A' ' 91' ' ' ALA . 16.9 t0 -44.85 -24.37 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.745 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 98' ' ' GLN . 4.1 mt -82.01 -50.36 9.2 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.9 mt -38.04 -63.8 0.45 Allowed 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.744 0.783 . . . . 0.0 110.289 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -66.03 -4.21 6.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.466 -0.771 . . . . 0.0 110.096 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.8 -35.9 16.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.921 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -88.42 -25.71 22.52 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.056 -1.028 . . . . 0.0 108.366 178.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 100' ' ' LEU . 1.6 tp -44.62 -29.17 0.49 Allowed Pre-proline 0 C--N 1.298 -1.67 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.0 Cg_exo -76.78 -4.69 15.23 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 O-C-N 124.35 1.711 . . . . 0.0 112.499 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 99' ' ' LEU . 7.9 mttt -86.88 -45.07 11.19 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 120.688 -1.257 . . . . 0.0 111.238 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 2.4 p90 -105.24 3.21 29.81 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.501 -0.749 . . . . 0.0 109.72 -177.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' CD ' ' O ' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -159.55 97.5 1.33 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -69.06 127.77 34.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.964 -1.085 . . . . 0.0 109.556 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -52.62 4.32 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.328 -0.857 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.24 160.36 21.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.266 -0.897 . . . . 0.0 109.324 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.314 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.405 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.23 -15.88 8.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.255 -0.903 . . . . 0.0 109.507 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 117.82 7.98 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.227 -0.921 . . . . 0.0 109.446 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -83.6 64.7 8.08 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.273 -0.892 . . . . 0.0 109.481 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -106.04 -160.99 0.77 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.21 -0.931 . . . . 0.0 109.277 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.589 ' HB2' ' CE ' ' A' ' 27' ' ' MET . 0.6 OUTLIER -59.94 152.16 24.29 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 0.0 109.403 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -120.88 109.96 15.75 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.167 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.732 HG12 ' SD ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -98.76 154.3 4.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.271 -1.518 . . . . 0.0 108.042 -178.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CD2' ' A' ' 95' ' ' LEU . 23.4 tp -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.153 -1.019 . . . . 0.0 113.578 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.64 ' H ' HD23 ' A' ' 26' ' ' LEU . 24.5 tp -176.1 162.02 2.46 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 119.099 -2.25 . . . . 0.0 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.23 141.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 121.609 -0.682 . . . . 0.0 110.383 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.973 HG22 HG11 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -103.3 136.72 34.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -88.12 -34.18 17.98 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 116.434 2.013 . . . . 0.0 116.434 -173.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HD3' ' HD2' ' A' ' 13' ' ' LYS . 1.6 tptp -132.39 100.12 4.89 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 115.743 -2.383 . . . . 0.0 111.733 172.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.013 HG21 ' HB2' ' A' ' 24' ' ' LEU . 21.8 t -109.54 161.54 7.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-O 122.873 1.32 . . . . 0.0 112.045 -174.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -124.03 122.0 36.73 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.482 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' LYS . 8.5 pt20 -127.61 142.61 51.31 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.44 -21.03 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.438 0 O-C-N 122.146 -0.346 . . . . 0.0 111.843 -173.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -93.25 -53.16 4.22 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.221 -1.549 . . . . 0.0 110.686 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.62 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -151.56 169.2 22.68 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.549 0.69 . . . . 0.0 110.587 -174.061 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.94 135.51 47.25 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 101.465 -3.532 . . . . 0.0 101.465 177.1 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.7 166.1 35.94 Favored Glycine 0 C--N 1.295 -1.727 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -176.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.58 138.71 33.25 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.283 -1.716 . . . . 0.0 107.208 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.013 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.38 134.42 51.21 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.127 -174.215 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.607 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-85 -115.85 136.27 53.2 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.38 139.33 51.01 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.732 ' SD ' HG12 ' A' ' 8' ' ' VAL . 6.2 ttt -136.95 150.62 48.28 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.59 -57.75 0.93 Allowed 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.37 0.605 . . . . 0.0 110.235 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.6 tp10 -87.23 -12.43 46.77 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.581 ' NH2' ' CE ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -163.31 166.39 23.11 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.026 -2.296 . . . . 0.0 113.046 -179.307 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.615 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 mm -109.87 131.31 61.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -120.07 148.23 43.85 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.79 -1.194 . . . . 0.0 110.458 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.872 ' N ' HG22 ' A' ' 43' ' ' ILE . 24.7 t90 -125.26 136.54 53.63 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB1' ' C ' ' A' ' 40' ' ' ARG . . . -152.52 165.24 17.97 Favored Pre-proline 0 C--N 1.298 -1.666 0 O-C-N 121.255 -0.903 . . . . 0.0 111.72 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.4 Cg_endo -106.16 -158.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 124.04 1.547 . . . . 0.0 108.772 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -127.85 83.5 2.17 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.734 -1.229 . . . . 0.0 110.239 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.44 -143.36 3.64 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.28 40.98 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.133 -1.216 . . . . 0.0 108.361 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.35 132.25 3.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.573 ' C ' ' HB1' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -119.25 -99.82 0.44 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 119.236 -2.165 . . . . 0.0 109.46 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 23.0 m-85 -41.52 93.94 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 CA-C-O 121.988 0.899 . . . . 0.0 110.991 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -87.15 -27.13 23.24 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.872 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -137.82 161.4 33.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-O 121.855 0.836 . . . . 0.0 111.285 -178.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 24.2 p -168.69 102.52 0.4 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.868 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.37 120.04 41.31 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.164 -0.96 . . . . 0.0 108.71 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 2.4 mtt -69.12 115.13 8.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.685 0.755 . . . . 0.0 110.302 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.895 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.5 m-30 -40.62 -43.63 1.95 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.673 -0.642 . . . . 0.0 110.733 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.4 -37.14 77.38 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.895 -1.753 . . . . 0.0 108.159 177.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 2.2 m-20 -65.49 -3.32 4.24 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.478 -1.237 . . . . 0.0 109.944 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.974 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -139.09 138.25 41.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.5 -0.75 . . . . 0.0 109.49 178.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -147.07 103.89 3.64 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 116.638 -2.025 . . . . 0.0 112.907 178.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.649 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 6.5 t 173.17 132.0 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HG2' HD22 ' A' ' 100' ' ' LEU . 27.9 mp0 -143.84 123.5 13.31 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.151 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 117.93 26.77 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CG2' ' OE1' ' A' ' 97' ' ' GLN . 14.7 mm -108.96 103.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 120.911 -1.118 . . . . 0.0 109.318 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.722 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -117.16 39.61 0.28 Allowed Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 56' ' ' SER . 6.1 Cg_endo -128.76 33.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 116.198 -2.068 . . . . 0.0 112.275 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 59' ' ' GLY . 2.3 pp20? -69.75 -43.4 72.32 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.389 -1.444 . . . . 0.0 108.609 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 58' ' ' GLU . . . -143.48 56.5 0.56 Allowed Glycine 0 C--N 1.299 -1.482 0 N-CA-C 105.371 -3.092 . . . . 0.0 105.371 176.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -116.68 -168.18 1.41 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.615 1.197 . . . . 0.0 114.034 -175.164 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.68 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -38.19 -72.94 0.05 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.471 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.947 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -167.4 46.39 0.05 Allowed 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.655 -179.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.039 HD13 ' C ' ' A' ' 89' ' ' ARG 0.334 0.0 OUTLIER 79.46 83.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.702 1.715 . . . . 0.0 112.255 179.911 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 3.2 pt20 -123.76 132.52 53.82 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 113.948 -1.478 . . . . 0.0 107.364 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.855 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -130.01 163.8 25.68 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.337 -1.477 . . . . 0.0 111.389 -178.753 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG2' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -148.03 125.51 11.68 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.675 0.75 . . . . 0.0 110.009 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.974 HD21 ' HB ' ' A' ' 50' ' ' ILE . 3.9 tt -130.61 154.84 47.45 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.066 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -127.66 157.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 117.611 -1.635 . . . . 0.0 111.623 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -88.41 147.31 24.77 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.579 -176.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.506 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 61.0 m-70 -46.86 -30.96 2.76 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.77 -154.42 0.08 Allowed 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 114.574 -1.194 . . . . 0.0 107.952 177.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.41 52.14 0.66 Allowed Glycine 0 C--N 1.298 -1.555 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.61 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 5.2 m-20 -128.23 130.71 48.37 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.066 HG23 HG22 ' A' ' 68' ' ' VAL . 3.0 m -108.02 164.53 12.2 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 29.3 m -130.69 109.98 11.03 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.467 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 2.0 m-20 -109.83 138.29 46.4 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.003 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -142.99 144.47 32.33 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.94 -179.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 35.4 t-80 -144.98 156.87 44.2 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.982 -1.087 . . . . 0.0 111.67 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.792 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -145.97 145.64 30.72 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.61 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . 35.8 t -177.22 142.03 0.34 Allowed 'General case' 0 C--O 1.215 -0.739 0 O-C-N 119.865 -1.772 . . . . 0.0 107.624 176.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.735 ' CB ' HG23 ' A' ' 84' ' ' THR . 6.4 m-80 -150.49 177.51 9.94 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.569 -1.332 . . . . 0.0 109.512 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.445 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 35.5 tp10 -46.86 -38.34 10.21 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.28 17.9 0.84 Allowed 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.574 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -112.46 21.13 16.01 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.368 -1.458 . . . . 0.0 109.135 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -94.24 64.46 3.22 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.907 -1.121 . . . . 0.0 108.295 175.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 87' ' ' LYS . 10.5 m -153.09 -141.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 120.388 -1.445 . . . . 0.0 112.518 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.591 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -34.57 -45.73 0.25 Allowed 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.954 -0.466 . . . . 0.0 110.348 -179.071 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -45.28 -72.63 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.821 1.296 . . . . 0.0 108.957 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 1.039 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -63.63 -54.94 28.0 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -52.07 -12.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.248 -0.908 . . . . 0.0 110.514 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.027 ' O ' HD12 ' A' ' 95' ' ' LEU . . . -96.65 -34.81 11.25 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.793 -1.192 . . . . 0.0 109.709 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.973 HG11 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -70.47 -40.12 77.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.035 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.835 ' HB2' HD12 ' A' ' 63' ' ' ILE . 4.6 ttpt -63.41 -60.83 2.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.523 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 44.8 t0 -43.01 -23.59 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.027 HD12 ' O ' ' A' ' 91' ' ' ALA . 1.2 mt -89.38 -43.61 10.78 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.031 -1.043 . . . . 0.0 108.225 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -41.05 -59.3 1.51 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.07 0.938 . . . . 0.0 109.889 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.665 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.5 -0.68 5.31 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 110.076 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.56 -39.11 13.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.895 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.13 -24.03 30.43 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.159 -0.963 . . . . 0.0 108.924 178.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 ' CE2' ' A' ' 103' ' ' PHE . 13.7 mt -44.75 -52.25 19.08 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 34.8 Cg_exo -46.8 -39.23 23.93 Favored 'Trans proline' 0 C--N 1.297 -2.144 0 O-C-N 124.33 1.7 . . . . 0.0 110.867 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -49.4 -41.78 40.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.598 -0.689 . . . . 0.0 112.554 -178.193 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.735 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -113.5 1.82 15.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.755 -1.216 . . . . 0.0 110.273 -177.35 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.578 ' CD ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -160.0 120.52 3.01 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.14 -0.975 . . . . 0.0 109.636 179.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 101' ' ' PRO . 1.3 ptt180 -160.25 -49.54 0.05 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.514 -0.741 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -111.58 -79.69 0.58 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.243 -0.911 . . . . 0.0 109.539 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.03 33.14 0.34 Allowed 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.231 -0.918 . . . . 0.0 109.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.364 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.428 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.35 0.595 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.34 -163.68 1.08 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.267 -0.895 . . . . 0.0 109.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -62.03 -171.14 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.34 -0.85 . . . . 0.0 109.304 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -43.66 142.51 1.21 Allowed 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.371 -0.831 . . . . 0.0 109.499 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -113.42 -149.01 0.44 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.23 -0.919 . . . . 0.0 109.571 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.83 163.86 18.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.302 -0.874 . . . . 0.0 109.772 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -119.86 113.07 20.03 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m -98.63 154.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 120.331 -1.481 . . . . 0.0 108.969 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.823 HD21 ' CD1' ' A' ' 95' ' ' LEU . 24.2 tp -98.67 -39.09 8.85 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.937 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 HG13 ' A' ' 12' ' ' VAL . 5.8 tt -168.19 152.41 6.17 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.445 -2.034 . . . . 0.0 110.423 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.734 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -127.4 137.06 58.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.3 -0.875 . . . . 0.0 109.099 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.968 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -122.68 96.87 4.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 122.303 1.049 . . . . 0.0 109.082 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.72 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.79 -18.94 9.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.016 0.912 . . . . 0.0 110.262 179.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.4 tptt -113.87 116.73 29.76 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.091 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.33 146.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 118.131 -1.427 . . . . 0.0 109.215 174.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.622 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -122.08 139.97 53.09 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.686 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 6.8 pt20 -145.14 137.29 25.8 Favored 'General case' 0 C--N 1.279 -2.474 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -36.72 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.848 -0.532 . . . . 0.0 110.923 -174.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 17' ' ' GLN . 10.2 ptmt -81.5 -58.42 3.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.65 -1.281 . . . . 0.0 110.518 178.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.686 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.1 169.1 22.66 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.551 -0.718 . . . . 0.0 110.815 -174.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.622 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -105.84 129.85 53.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 101.451 -3.537 . . . . 0.0 101.451 176.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.05 166.29 36.25 Favored Glycine 0 C--N 1.298 -1.58 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -175.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.55 133.17 34.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 123.292 1.52 . . . . 0.0 110.451 -177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -107.86 132.61 53.27 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 113.113 -1.858 . . . . 0.0 109.547 -175.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CE1' HG13 ' A' ' 11' ' ' ILE . 13.6 m-85 -111.25 133.34 53.67 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -112.84 133.62 54.74 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.755 -1.841 . . . . 0.0 108.379 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.672 ' CE ' HG12 ' A' ' 8' ' ' VAL . 5.0 ttm -120.41 146.44 46.2 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.97 -58.21 2.91 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.182 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 4.0 tt0 -87.19 -2.11 58.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.456 -0.777 . . . . 0.0 112.948 -175.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.595 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -161.36 165.54 28.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 119.146 -2.221 . . . . 0.0 112.557 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.652 HG22 ' CD2' ' A' ' 45' ' ' HIS . 1.0 OUTLIER -109.07 141.13 25.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -130.43 144.22 51.26 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.953 -1.092 . . . . 0.0 110.995 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.869 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 13.0 t90 -121.56 142.39 50.13 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.236 -0.985 . . . . 0.0 110.746 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -150.87 116.67 3.29 Favored Pre-proline 0 C--N 1.298 -1.648 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.419 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.658 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.1 Cg_endo -115.8 -152.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.921 1.485 . . . . 0.0 109.043 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.26 39.78 0.96 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.091 -1.005 . . . . 0.0 109.209 179.377 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . -64.27 -121.08 0.01 OUTLIER Glycine 0 C--O 1.215 -1.058 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 17.9 ptpt -152.18 51.16 0.78 Allowed 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.086 -1.244 . . . . 0.0 110.305 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.499 ' OD1' ' NH1' ' A' ' 40' ' ' ARG . 64.6 t0 -160.93 -121.95 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.521 ' NH1' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -138.74 -50.99 0.55 Allowed 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.4 154.51 20.71 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.681 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -128.62 -16.37 4.29 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.07 -1.019 . . . . 0.0 110.391 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.869 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.8 156.16 6.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 C-N-CA 118.789 -1.164 . . . . 0.0 111.791 -179.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 62.5 m -164.18 101.48 0.86 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.508 177.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.842 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.19 115.98 30.7 Favored 'General case' 0 C--N 1.311 -1.095 0 O-C-N 121.17 -0.957 . . . . 0.0 108.88 178.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.595 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -69.01 118.11 11.51 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.874 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.3 m-30 -41.3 -44.67 2.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.817 -0.552 . . . . 0.0 109.712 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.86 76.42 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 119.712 -1.868 . . . . 0.0 108.127 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 22.7 m-20 -68.29 -3.81 12.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.996 177.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.089 HD13 ' CD2' ' A' ' 67' ' ' LEU . 2.7 pp -144.66 142.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.461 -0.774 . . . . 0.0 109.217 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HD2' ' C ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -143.27 103.78 4.18 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 119.112 -2.243 . . . . 0.0 112.299 178.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.903 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.08 134.41 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.987 ' CG ' HD11 ' A' ' 100' ' ' LEU . 3.2 mm-40 -143.58 122.7 12.9 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 117.823 -1.551 . . . . 0.0 110.963 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -127.68 113.23 15.77 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.301 -179.202 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.603 HG22 ' HB3' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -147.84 100.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 120.623 -1.298 . . . . 0.0 110.363 179.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.653 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.0 t -120.87 25.27 0.11 Allowed Pre-proline 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 0.0 110.203 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.75 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 1.4 Cg_endo -68.56 55.48 0.86 Allowed 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 115.831 -2.313 . . . . 0.0 112.442 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' SER . 2.2 tp10 -105.41 -25.15 12.48 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 177.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 27.9 1.95 Allowed Glycine 0 CA--C 1.534 1.234 0 N-CA-C 106.141 -2.783 . . . . 0.0 106.141 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 56' ' ' SER . 19.7 mmtt -93.89 -168.65 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 122.185 0.993 . . . . 0.0 112.495 -175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' C ' ' CG ' ' A' ' 62' ' ' LYS . . . -45.11 -70.16 0.11 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.754 ' C ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.08 54.21 0.03 OUTLIER 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.181 178.6 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.857 HD13 ' HB1' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 83.65 71.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 CA-C-O 123.649 1.69 . . . . 0.0 113.407 177.584 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -121.45 133.72 55.07 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.825 -1.534 . . . . 0.0 109.383 178.576 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.896 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.49 165.62 14.71 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.939 -1.101 . . . . 0.0 110.124 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -140.87 136.9 32.8 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.904 0.859 . . . . 0.0 110.694 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.089 ' CD2' HD13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -140.62 148.7 41.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.2 t -126.7 157.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 123.336 1.541 . . . . 0.0 110.94 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -92.11 144.1 25.77 Favored 'General case' 0 C--N 1.277 -2.554 0 CA-C-N 113.549 -1.66 . . . . 0.0 109.046 -177.182 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.7 p80 -46.66 -30.48 2.36 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.42 -153.38 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.95 53.75 0.57 Allowed Glycine 0 C--N 1.292 -1.865 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.629 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 25.8 m-20 -129.42 131.64 46.81 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.542 -0.863 . . . . 0.0 109.086 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.04 165.12 11.59 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.634 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.5 m -140.82 105.86 4.98 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 66' ' ' GLN . 3.1 m-20 -109.17 144.04 37.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -147.58 146.43 29.39 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.967 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.686 ' O ' HG13 ' A' ' 15' ' ' VAL . 60.1 t-80 -136.6 157.91 45.68 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 122.448 1.118 . . . . 0.0 110.911 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.968 ' HE2' HG21 ' A' ' 12' ' ' VAL . 54.4 m-85 -126.6 135.11 50.8 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.871 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 4.5 t -178.16 48.21 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 O-C-N 118.459 -2.65 . . . . 0.0 108.993 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.847 ' OD1' HG21 ' A' ' 84' ' ' THR . 0.3 OUTLIER -59.86 -139.84 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.342 -0.848 . . . . 0.0 109.13 -178.108 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 81' ' ' ASN . 1.7 pm0 -42.88 -85.95 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 m -136.93 41.95 2.47 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.847 HG21 ' OD1' ' A' ' 81' ' ' ASN . 8.8 t -87.22 -17.55 32.35 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.096 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.871 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -61.08 81.95 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 122.768 1.27 . . . . 0.0 108.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 84' ' ' THR . 2.3 t -150.55 -132.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.754 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -59.93 -45.51 92.36 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 111.057 -179.186 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 84' ' ' THR . 0.5 OUTLIER -39.3 -73.11 0.05 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 122.835 1.302 . . . . 0.0 110.065 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.682 ' HG3' HD11 ' A' ' 63' ' ' ILE . 7.7 mmt180 -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 25.8 t0 -38.51 -55.15 1.44 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' HA ' ' CB ' ' A' ' 94' ' ' ASP . . . -62.8 -35.92 81.44 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.442 -0.786 . . . . 0.0 110.319 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 15.0 t -52.43 -61.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.679 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 12.6 tttp -55.18 -53.2 59.0 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.677 ' C ' HD23 ' A' ' 95' ' ' LEU . 4.1 t70 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.931 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.843 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -92.13 -44.72 8.65 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 120.7 -1.25 . . . . 0.0 108.315 178.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.824 HD21 HD21 ' A' ' 26' ' ' LEU . 4.4 mt -36.42 -62.27 0.47 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 122.124 0.964 . . . . 0.0 110.075 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.679 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.88 0.3 0.89 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.802 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.61 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -95.08 -39.43 10.14 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.857 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -79.85 -31.95 40.48 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.393 -0.817 . . . . 0.0 109.446 179.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.987 HD11 ' CG ' ' A' ' 53' ' ' GLN . 1.1 mt -41.47 -39.46 2.31 Favored Pre-proline 0 C--N 1.304 -1.377 0 O-C-N 121.63 -0.669 . . . . 0.0 109.421 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 50.1 Cg_exo -66.93 0.13 4.07 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 O-C-N 124.663 1.875 . . . . 0.0 112.365 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER -91.18 -45.29 8.73 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.936 -1.103 . . . . 0.0 111.618 -178.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.744 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -99.92 -3.84 31.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.329 -0.857 . . . . 0.0 110.251 -176.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.918 ' CD ' HD22 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -93.34 29.11 2.01 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.233 -0.917 . . . . 0.0 109.471 179.299 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 104' ' ' LYS . 1.5 mmm180 -61.22 -123.6 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.734 -0.604 . . . . 0.0 109.423 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -40.63 0.4 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.732 -1.23 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.66 -45.89 13.94 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 109.29 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.427 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.8 97.42 3.25 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.231 -0.918 . . . . 0.0 109.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.59 -84.5 0.35 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.226 -0.921 . . . . 0.0 109.511 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 t -136.21 -72.37 0.45 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.258 -0.901 . . . . 0.0 109.467 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -143.97 -98.82 0.11 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.178 -0.951 . . . . 0.0 109.557 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 1.9 pm0 -68.25 162.72 24.43 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.038 -1.039 . . . . 0.0 110.202 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 mm-40 -120.64 112.55 19.04 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -98.88 152.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 O-C-N 120.191 -1.568 . . . . 0.0 108.7 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.036 ' CD2' HD12 ' A' ' 95' ' ' LEU . 17.1 tp -100.57 -30.85 11.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 26' ' ' LEU . 39.5 tp -174.52 152.11 1.64 Allowed 'General case' 0 C--O 1.214 -0.78 0 O-C-N 119.11 -2.244 . . . . 0.0 111.571 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.628 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.48 146.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.805 0.812 . . . . 0.0 111.174 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -124.38 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.45 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.856 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -60.01 -81.52 0.02 OUTLIER 'General case' 0 C--O 1.183 -2.42 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.9 104.82 14.38 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 118.524 -2.61 . . . . 0.0 115.466 -172.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.793 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.6 t -106.57 164.8 4.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.129 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -114.86 142.86 45.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.641 ' O ' ' N ' ' A' ' 19' ' ' LYS . 1.9 pt20 -143.66 147.77 34.8 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -36.5 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -101.85 -52.54 3.16 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.095 -1.628 . . . . 0.0 111.575 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.627 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.38 169.24 22.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.536 0.684 . . . . 0.0 111.147 -172.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.4 t70 -105.24 134.23 48.69 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 100.481 -3.896 . . . . 0.0 100.481 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 33' ' ' TRP . . . -161.51 166.53 36.0 Favored Glycine 0 C--N 1.291 -1.964 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -175.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.856 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.69 141.6 32.33 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.065 -1.844 . . . . 0.0 108.321 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.007 HD11 ' CG ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -108.9 125.23 51.79 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.668 -175.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.9 m-85 -111.37 135.86 51.33 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.92 139.35 51.27 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 1.2 ttp -138.91 146.68 41.38 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.62 -57.66 0.94 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.772 -0.58 . . . . 0.0 110.605 -178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.547 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.0 tt0 -86.63 -11.98 49.83 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.061 -1.056 . . . . 0.0 113.381 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -163.44 165.04 24.26 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 119.235 -2.166 . . . . 0.0 112.408 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.699 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -110.86 128.93 66.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.628 ' HB1' ' CD1' ' A' ' 41' ' ' PHE . . . -112.96 146.75 38.47 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.311 -0.868 . . . . 0.0 110.062 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.021 ' HB3' HG23 ' A' ' 43' ' ' ILE . 28.5 t90 -131.51 138.24 48.86 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.083 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -151.85 148.72 22.17 Favored Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.294 -0.878 . . . . 0.0 110.806 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.546 ' CD ' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo -105.85 -167.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.651 1.343 . . . . 0.0 109.401 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 4.4 pt-20 -78.47 97.09 5.57 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.039 -1.038 . . . . 0.0 109.778 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.13 162.98 33.58 Favored Glycine 0 C--N 1.306 -1.118 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -45.91 -40.53 10.26 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.199 -1.177 . . . . 0.0 109.17 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.65 149.07 44.19 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -102.54 -2.75 27.95 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 121.41 -0.806 . . . . 0.0 109.515 179.481 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.083 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 48.2 m-85 -142.28 129.86 21.42 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.63 0.728 . . . . 0.0 110.798 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 1.0 HG23 HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -104.62 -29.82 10.38 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.093 HD11 ' NE2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -149.14 157.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.751 0.786 . . . . 0.0 110.032 178.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.558 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -155.88 113.75 3.34 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 1.093 ' NE2' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.76 123.88 50.3 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 120.9 -1.125 . . . . 0.0 110.549 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.564 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -68.01 112.87 5.25 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.117 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.2 m-30 -40.16 -39.97 1.01 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.259 -0.9 . . . . 0.0 110.856 -177.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.33 -36.5 77.0 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 120.079 -1.638 . . . . 0.0 108.19 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 46' ' ' MET . 8.5 m-20 -63.77 -3.22 2.21 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.719 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.984 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.2 pt -139.11 135.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.512 -0.742 . . . . 0.0 109.172 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -138.63 103.49 4.87 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 119.732 -1.855 . . . . 0.0 112.032 178.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.83 130.23 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 176.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.828 ' NE2' HD22 ' A' ' 100' ' ' LEU . 11.4 mm-40 -143.99 120.94 11.34 Favored 'General case' 0 C--N 1.285 -2.197 0 C-N-CA 117.048 -1.861 . . . . 0.0 112.056 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 1.025 ' O ' HD13 ' A' ' 55' ' ' ILE . 2.1 tttt -134.03 112.31 11.09 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 54' ' ' LYS . 2.4 mm -141.86 102.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.978 -1.076 . . . . 0.0 109.628 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.637 ' N ' ' HD3' ' A' ' 57' ' ' PRO . 7.7 p -119.29 37.6 0.27 Allowed Pre-proline 0 C--N 1.297 -1.711 0 O-C-N 121.475 -0.766 . . . . 0.0 110.535 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.832 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 5.9 Cg_exo -79.52 53.4 4.71 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 114.876 -2.95 . . . . 0.0 111.526 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -107.11 -26.8 10.96 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.55 26.03 1.97 Allowed Glycine 0 CA--C 1.538 1.515 0 N-CA-C 107.031 -2.428 . . . . 0.0 107.031 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.7 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -84.81 -170.15 2.98 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 122.526 1.155 . . . . 0.0 112.912 -176.19 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.1 -65.0 0.72 Allowed 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.435 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.942 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.17 50.42 0.24 Allowed 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 118.174 -1.41 . . . . 0.0 112.961 -179.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.942 HG23 ' O ' ' A' ' 62' ' ' LYS 0.306 0.0 OUTLIER 77.03 84.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 123.19 1.472 . . . . 0.0 111.012 179.772 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -127.82 132.54 49.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.503 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.949 ' HB2' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -125.94 162.04 26.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 109.717 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' H ' HD13 ' A' ' 55' ' ' ILE . 2.5 tt0 -149.86 128.49 12.36 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.348 -0.845 . . . . 0.0 110.671 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.984 HD21 ' HB ' ' A' ' 50' ' ' ILE . 2.2 tt -136.09 153.1 51.42 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.973 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -126.82 158.06 37.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-O 123.354 1.55 . . . . 0.0 111.776 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -87.74 144.73 26.47 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.113 -177.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.7 p80 -46.46 -31.27 2.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -77.09 -154.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.85 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 51.19 0.72 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.562 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.3 t0 -128.6 129.38 45.84 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.973 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.49 163.92 12.8 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -135.1 106.0 6.58 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 5.2 m-20 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.007 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.66 143.17 33.47 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 117.895 -1.522 . . . . 0.0 110.626 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.715 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 66.7 t-80 -145.55 145.11 30.89 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.436 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.727 ' CD2' HG22 ' A' ' 15' ' ' VAL . 13.1 m-85 -112.63 139.89 47.85 Favored 'General case' 0 C--N 1.277 -2.584 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.65 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 8.7 t -176.75 118.15 0.12 Allowed 'General case' 0 C--N 1.311 -1.108 0 O-C-N 118.967 -2.333 . . . . 0.0 110.89 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.595 ' HB2' HG23 ' A' ' 84' ' ' THR . 8.3 m-80 -150.72 -167.06 2.71 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -48.82 -42.51 36.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.811 -1.181 . . . . 0.0 108.43 179.206 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.1 m -151.83 32.04 0.56 Allowed 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.378 -0.826 . . . . 0.0 111.437 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 81' ' ' ASN . 40.0 p -89.27 -31.37 17.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.227 -1.546 . . . . 0.0 109.256 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -77.69 79.45 4.17 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.6 1.19 . . . . 0.0 110.642 -177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -150.63 -148.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.284 -2.26 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.055 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -49.83 -28.09 5.94 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 121.401 -0.812 . . . . 0.0 110.408 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -56.51 -72.05 0.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.907 ' C ' HD13 ' A' ' 63' ' ' ILE . 3.3 mmt180 -56.59 -37.91 71.27 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.555 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -58.57 -17.84 24.92 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.053 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 88' ' ' GLU . . . -84.46 -39.75 18.55 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 176.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 10' ' ' LEU . 48.9 t -59.12 -71.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.6 ttpt -44.15 -37.19 2.98 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.44 -0.787 . . . . 0.0 108.939 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.581 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.5 m-20 -53.96 -30.64 47.66 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.036 HD12 ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? -92.81 -41.87 9.86 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.165 -0.959 . . . . 0.0 109.585 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 26' ' ' LEU . 11.7 mt -44.45 -67.98 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.235 -0.916 . . . . 0.0 112.056 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -60.12 -1.31 0.3 Allowed 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.482 -1.387 . . . . 0.0 110.538 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 95' ' ' LEU . 4.2 tt0 -93.45 -36.43 12.47 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.044 -1.035 . . . . 0.0 109.663 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -85.53 -25.08 27.0 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 120.799 -1.188 . . . . 0.0 110.011 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.828 HD22 ' NE2' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -50.09 -33.66 8.34 Favored Pre-proline 0 C--N 1.304 -1.391 0 O-C-N 120.832 -1.168 . . . . 0.0 108.558 -178.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -73.23 -5.43 17.15 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 O-C-N 124.251 1.658 . . . . 0.0 111.203 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 3.4 tttp -80.66 -42.67 21.68 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 111.683 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -108.01 5.5 26.21 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 0.0 110.298 -177.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HD2' ' O ' ' A' ' 103' ' ' PHE . 13.8 tptt -155.86 105.73 2.4 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.19 -0.944 . . . . 0.0 109.719 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 106' ' ' LYS . 10.1 ptt180 -137.11 -46.7 0.57 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.258 -0.901 . . . . 0.0 108.992 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 105' ' ' ARG . 22.7 tttt -86.74 113.8 22.89 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.306 -0.871 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.99 111.86 7.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.247 -0.908 . . . . 0.0 109.459 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 108' ' ' ASN . 4.1 p-10 . . . . . 0 C--N 1.305 -1.327 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.396 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.84 -71.81 0.13 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.214 -0.929 . . . . 0.0 109.416 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' SER . 1.5 p -95.07 -99.05 0.16 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.296 -0.878 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -52.84 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.982 -1.074 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -101.21 -68.65 0.81 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.214 -0.928 . . . . 0.0 109.738 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.88 158.92 23.89 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.88 109.79 15.97 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.005 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.89 154.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 O-C-N 120.43 -1.419 . . . . 0.0 109.403 -177.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.0 tp -98.82 -27.17 14.05 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.629 -177.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 37.2 tp -173.5 160.61 3.89 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 119.252 -2.155 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -140.18 133.51 34.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.78 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -116.64 96.5 4.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 120.78 -1.2 . . . . 0.0 109.554 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.761 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 2.0 mptt -50.18 -19.63 0.82 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 81' ' ' ASN . 1.4 tptp -113.14 110.46 20.46 Favored 'General case' 0 C--N 1.278 -2.538 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.379 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.993 HG21 ' HB2' ' A' ' 24' ' ' LEU . 50.8 t -150.56 144.7 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.34 0 C-N-CA 118.392 -1.323 . . . . 0.0 108.562 175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -125.67 142.83 51.31 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.0 pt20 -140.41 136.22 32.85 Favored 'General case' 0 C--N 1.278 -2.513 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -36.17 -22.67 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.961 -0.462 . . . . 0.0 111.618 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptmm? -81.67 -53.17 6.45 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.336 -1.477 . . . . 0.0 109.882 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 8.2 tp60 -151.45 168.48 24.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.967 -173.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.726 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -105.63 133.76 49.84 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 101.365 -3.569 . . . . 0.0 101.365 176.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.43 166.04 36.38 Favored Glycine 0 C--N 1.301 -1.402 0 C-N-CA 120.172 -1.013 . . . . 0.0 110.753 -176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -85.4 133.6 34.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 122.519 1.152 . . . . 0.0 109.178 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.999 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -107.99 141.31 39.84 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.179 -175.078 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 11' ' ' ILE . 11.7 m-85 -116.47 135.91 53.43 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.768 HD12 HD11 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -112.37 137.21 50.85 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.472 -1.393 . . . . 0.0 107.374 178.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 1.005 ' SD ' HG12 ' A' ' 8' ' ' VAL . 2.7 ttp -134.18 138.91 45.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.18 -56.0 0.95 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.733 -0.604 . . . . 0.0 110.192 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 1.1 tp10 -87.34 -14.27 41.22 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.235 -0.986 . . . . 0.0 113.383 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -159.08 163.72 36.01 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 119.299 -2.126 . . . . 0.0 112.422 -178.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.768 HD11 HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -109.85 124.28 66.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.936 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 44' ' ' SER . . . -109.28 153.71 23.49 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.477 -0.764 . . . . 0.0 109.688 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.821 ' CE3' HG21 ' A' ' 42' ' ' THR . 22.7 t90 -132.28 141.13 48.87 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.367 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 40' ' ' ARG . . . -151.33 117.19 3.21 Favored Pre-proline 0 C--N 1.295 -1.795 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.023 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.8 Cg_endo -86.35 -175.55 1.79 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.979 1.515 . . . . 0.0 109.904 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.9 63.88 7.23 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.162 -0.961 . . . . 0.0 109.414 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.91 -119.86 3.51 Favored Glycine 0 C--N 1.305 -1.141 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 40' ' ' ARG . 3.3 mttt -129.88 -51.34 1.14 Allowed 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -1.146 . . . . 0.0 109.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' PHE . 2.5 p-10 -63.77 77.24 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.307 -0.87 . . . . 0.0 109.693 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.678 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -18.18 -46.26 0.0 OUTLIER 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' ASP . 19.8 m-85 -106.24 146.57 30.16 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.892 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.821 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -120.11 -46.4 2.42 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.925 HD13 ' CE1' ' A' ' 45' ' ' HIS . 1.2 pp -150.77 177.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.103 -1.039 . . . . 0.0 111.614 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -170.22 112.57 0.44 Allowed 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.502 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.925 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.13 129.16 55.48 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.723 -1.236 . . . . 0.0 110.265 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -74.09 107.83 6.52 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.52 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 99' ' ' LEU . 4.1 m-30 -31.06 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -67.29 -46.05 74.74 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 119.965 -1.709 . . . . 0.0 108.074 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 16.5 m-20 -65.9 -5.62 9.8 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.317 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.903 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -123.1 114.55 42.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HG3' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -141.8 103.55 4.37 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 115.982 -2.287 . . . . 0.0 113.428 178.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.687 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 1.6 t 172.73 138.66 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 52' ' ' CYS . 6.4 mp0 -143.27 120.98 11.86 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.663 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 143.66 50.6 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.644 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.1 pp -109.46 102.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 120.912 -1.117 . . . . 0.0 108.451 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.648 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 35.2 m -99.94 -11.06 0.15 Allowed Pre-proline 0 C--N 1.299 -1.619 0 O-C-N 121.549 -0.719 . . . . 0.0 111.856 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.708 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 5.1 Cg_endo -88.23 47.48 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 115.364 -2.624 . . . . 0.0 110.414 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -96.52 -32.6 12.2 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.06 37.39 2.01 Favored Glycine 0 C--O 1.215 -1.046 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 25.8 mmtm -93.9 -137.34 0.2 Allowed 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.33 -2.04 3.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.626 ' CD ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -157.67 -113.87 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -178.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.035 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -157.39 83.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 120.635 -1.291 . . . . 0.0 113.272 -176.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.604 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 3.5 pt20 -108.56 131.37 54.92 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 118.862 -2.399 . . . . 0.0 107.37 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.866 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -109.03 171.16 7.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.717 -1.239 . . . . 0.0 112.861 -176.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.542 ' CG ' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -135.61 127.15 28.79 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.951 0.881 . . . . 0.0 110.63 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD21 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -129.56 133.66 47.32 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.237 -2.135 . . . . 0.0 105.237 179.287 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.698 HG22 HG23 ' A' ' 74' ' ' THR . 2.6 t -111.89 157.19 12.79 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 117.7 -1.6 . . . . 0.0 111.18 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.721 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.59 147.2 27.88 Favored 'General case' 0 C--N 1.28 -2.435 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.765 -178.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.0 p80 -49.15 -33.21 11.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.02 -153.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.97 53.32 0.59 Allowed Glycine 0 C--N 1.301 -1.381 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.615 ' O ' HD23 ' A' ' 69' ' ' LEU . 18.2 m-20 -127.68 139.9 52.42 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.8 160.1 16.24 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 119.66 -0.816 . . . . 0.0 108.968 -178.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 67' ' ' LEU . 86.1 m -133.74 104.46 6.34 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.542 ' ND2' ' CG ' ' A' ' 66' ' ' GLN . 4.3 m120 -109.77 146.35 35.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.842 -1.161 . . . . 0.0 108.974 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.999 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.8 141.08 22.31 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.745 -1.182 . . . . 0.0 110.962 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.686 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 26.5 t-80 -130.45 165.22 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.308 1.052 . . . . 0.0 113.163 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.035 ' HB2' HD11 ' A' ' 63' ' ' ILE . 13.7 m-85 -149.36 126.75 11.5 Favored 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.632 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 6.1 t -177.8 59.91 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.779 0 O-C-N 118.309 -2.744 . . . . 0.0 109.216 175.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -61.31 -132.76 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 108.522 -179.387 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -48.07 -79.52 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -138.68 50.71 1.85 Allowed 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 86' ' ' VAL . 80.4 p -88.08 -23.08 23.82 Favored 'General case' 0 C--O 1.208 -1.109 0 C-N-CA 119.181 -1.007 . . . . 0.0 110.462 -176.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.587 ' HB1' HD12 ' A' ' 63' ' ' ILE . . . -59.91 79.74 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.813 -1.18 . . . . 0.0 109.285 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.623 ' N ' ' O ' ' A' ' 84' ' ' THR . 1.6 t -150.71 -145.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.332 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.415 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' H ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -46.2 -40.97 12.11 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.924 -1.11 . . . . 0.0 110.324 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -52.32 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.91 -1.119 . . . . 0.0 110.025 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.599 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 10.8 mmt180 -61.95 -56.25 21.07 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 86' ' ' VAL . 6.3 t70 -35.84 -48.14 0.54 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -62.03 -54.04 47.05 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.895 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 39.0 t -38.31 -58.74 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.649 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 27.1 ttpp -59.12 -52.24 66.57 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -47.51 -19.67 0.19 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 98' ' ' GLN . 5.5 mt -89.04 -45.29 9.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 65' ' ' LEU . 10.8 mt -40.56 -61.12 0.98 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.884 0.849 . . . . 0.0 109.919 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.649 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.4 -0.13 7.67 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.576 -0.703 . . . . 0.0 110.018 179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.16 -27.79 16.69 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.742 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -92.35 -23.74 19.14 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.785 HD13 ' C ' ' A' ' 100' ' ' LEU . 2.7 tm? -45.61 -33.93 2.25 Favored Pre-proline 0 C--N 1.305 -1.328 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 100' ' ' LEU . 41.2 Cg_exo -68.78 -1.37 7.54 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 124.069 1.563 . . . . 0.0 111.983 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.7 tttm -87.98 -44.22 11.17 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.074 -1.016 . . . . 0.0 112.617 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.665 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -105.03 -0.89 26.36 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 109.636 -176.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.546 ' CE ' ' HG3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.02 -151.9 0.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.557 -0.714 . . . . 0.0 109.731 179.109 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' A' ' 105' ' ' ARG . 1.8 ttt-85 -131.49 104.7 7.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.576 -0.703 . . . . 0.0 109.394 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.4 -71.19 0.47 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.94 -55.93 2.14 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.28 -0.887 . . . . 0.0 109.434 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.305 -1.35 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.426 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.291 0.567 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.48 19.19 1.7 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.204 -0.935 . . . . 0.0 109.438 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' SER . 1.3 p -64.09 -170.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.232 -0.917 . . . . 0.0 109.432 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -49.92 179.03 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.273 -0.892 . . . . 0.0 109.579 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -92.46 -68.53 0.79 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.276 -0.89 . . . . 0.0 109.628 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.35 160.95 28.49 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -120.54 114.38 21.66 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -98.66 154.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 O-C-N 120.035 -1.666 . . . . 0.0 109.353 -176.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 9' ' ' LEU . 20.0 tp -98.74 -32.68 11.26 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.715 -0.794 . . . . 0.0 112.624 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 42.0 tp -175.93 147.21 0.75 Allowed 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.245 -2.159 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.29 141.42 33.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.496 -0.752 . . . . 0.0 109.71 179.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.15 117.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 177.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.026 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 16.8 ttmt -58.17 -83.27 0.01 OUTLIER 'General case' 0 C--O 1.186 -2.242 0 C-N-CA 116.729 -1.989 . . . . 0.0 108.482 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' CB ' ' OD1' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -49.77 133.85 21.2 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 119.735 -1.853 . . . . 0.0 111.943 -178.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.012 HG21 ' HB2' ' A' ' 24' ' ' LEU . 5.6 t -151.14 150.86 12.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.968 172.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 8.3 tpp180 -122.2 132.89 54.67 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.636 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 3.0 pt20 -137.03 130.24 31.09 Favored 'General case' 0 C--N 1.275 -2.667 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mttp -36.37 -22.42 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.656 -0.652 . . . . 0.0 111.868 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 17' ' ' GLN . 13.6 ptmm? -80.66 -53.44 6.53 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.358 -1.464 . . . . 0.0 110.348 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.636 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 40.0 tt0 -152.0 168.29 25.7 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.575 -0.703 . . . . 0.0 110.116 -174.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -106.43 132.01 52.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 101.544 -3.502 . . . . 0.0 101.544 175.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.583 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.81 166.11 36.01 Favored Glycine 0 C--N 1.291 -1.946 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.026 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.48 134.05 34.45 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.873 1.321 . . . . 0.0 111.539 -176.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.012 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -109.03 135.35 50.34 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.848 -176.059 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.65 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 6.0 m-85 -115.89 141.79 47.63 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -120.29 138.19 53.83 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 178.23 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.749 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.5 ttp -144.76 144.26 31.09 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.5 -47.19 0.61 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.874 0.845 . . . . 0.0 109.196 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 2.0 tp10 -85.14 -31.45 23.28 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.375 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -162.13 166.49 25.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 119.733 -1.854 . . . . 0.0 113.386 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.608 HG22 ' NE2' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -108.99 131.77 58.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.688 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -114.92 156.98 24.0 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.081 -1.012 . . . . 0.0 111.369 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.877 ' CE3' HG21 ' A' ' 42' ' ' THR . 15.5 t90 -129.56 137.46 50.76 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.685 -0.635 . . . . 0.0 109.376 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -151.88 148.52 21.8 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 121.397 -0.815 . . . . 0.0 110.835 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -102.34 -157.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.754 1.397 . . . . 0.0 109.638 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 7.3 pt-20 -109.02 87.86 2.59 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.162 -0.961 . . . . 0.0 109.679 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -160.11 -177.04 32.85 Favored Glycine 0 C--N 1.306 -1.117 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.6 mttt -46.44 -71.6 0.07 Allowed 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.201 -1.176 . . . . 0.0 108.977 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -62.03 141.79 57.88 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 1.1 ptt180 -101.56 -89.8 0.35 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.922 0.867 . . . . 0.0 109.558 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.514 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 33.0 m-85 -47.12 118.97 2.33 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-O 122.039 0.924 . . . . 0.0 111.172 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.889 HG23 HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -96.08 -39.26 9.82 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.889 HG23 HG23 ' A' ' 42' ' ' THR . 1.1 pt -151.1 175.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.778 0.799 . . . . 0.0 111.283 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 p -159.61 128.21 5.07 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.776 ' ND1' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -109.13 104.75 13.99 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.68 -1.263 . . . . 0.0 108.976 -179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.662 ' N ' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.52 103.53 0.86 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.076 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.743 ' OH ' HD22 ' A' ' 96' ' ' LEU . 3.8 m-30 -32.29 -39.21 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 122.085 -0.384 . . . . 0.0 111.899 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' MET . . . -68.39 -46.15 70.79 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 120.014 -1.679 . . . . 0.0 108.479 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.846 ' C ' HD13 ' A' ' 50' ' ' ILE . 14.7 m-20 -65.73 -5.68 9.38 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.928 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -122.06 116.63 49.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' CE ' ' HG2' ' A' ' 104' ' ' LYS . 5.9 tptp -136.66 102.93 5.06 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 115.708 -2.397 . . . . 0.0 113.259 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.674 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 5.4 t 172.18 131.33 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 100' ' ' LEU . 19.0 mm-40 -142.95 127.69 18.16 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 116.599 -2.04 . . . . 0.0 112.689 -176.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 112.77 8.7 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.236 -1.802 . . . . 0.0 106.374 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.594 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -144.57 102.61 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 120.942 -1.099 . . . . 0.0 109.455 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.64 ' N ' ' HD3' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -119.62 38.79 0.31 Allowed Pre-proline 0 C--N 1.297 -1.713 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.912 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.756 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 4.3 Cg_exo -82.9 45.84 2.0 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 115.04 -2.84 . . . . 0.0 111.83 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -29.6 17.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.427 ' C ' ' HD2' ' A' ' 60' ' ' LYS . . . -143.36 46.52 0.84 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 106.152 -2.779 . . . . 0.0 106.152 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.756 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -107.67 -170.26 1.66 Allowed 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.728 1.252 . . . . 0.0 112.867 -175.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.743 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -44.24 -68.4 0.2 Allowed 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.433 -1.258 . . . . 0.0 107.781 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.827 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -172.8 55.84 0.02 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.782 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.011 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 0.8 OUTLIER 79.42 80.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 121.708 2.049 . . . . 0.0 113.814 -179.176 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 2.9 pt20 -124.56 130.75 53.02 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.086 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.65 163.93 22.39 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.264 -1.522 . . . . 0.0 111.474 -179.269 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -144.98 129.28 17.77 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.305 -0.872 . . . . 0.0 110.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.928 HD21 ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -134.79 149.45 50.4 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 74' ' ' THR . 2.8 t -122.09 158.04 26.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 C-N-CA 118.052 -1.459 . . . . 0.0 110.593 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.56 146.94 28.05 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.447 -178.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 2.8 p80 -48.69 -35.07 13.14 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.26 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.229 178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.4 51.97 0.67 Allowed Glycine 0 C--N 1.303 -1.251 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 m-20 -128.18 140.5 51.88 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.287 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.899 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.96 155.88 20.36 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.075 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.776 HG21 ' ND1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -126.78 105.26 8.54 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 178.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -111.37 138.63 47.62 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.801 -1.187 . . . . 0.0 108.592 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.972 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.11 144.32 29.92 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 118.398 -1.321 . . . . 0.0 110.595 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.723 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 52.7 t-80 -132.13 157.86 43.13 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.422 1.106 . . . . 0.0 109.971 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.886 ' HB2' HG23 ' A' ' 63' ' ' ILE . 67.2 m-85 -117.33 147.43 42.61 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-O 122.115 0.96 . . . . 0.0 111.539 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.539 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 8.4 t -176.5 130.08 0.2 Allowed 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 118.825 -1.15 . . . . 0.0 112.903 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.631 ' CB ' HG23 ' A' ' 84' ' ' THR . 7.4 m-80 -150.7 167.49 27.2 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.355 0.597 . . . . 0.0 109.631 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.9 -26.21 68.68 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.353 -0.842 . . . . 0.0 109.098 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.73 8.64 1.52 Allowed 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.396 -0.921 . . . . 0.0 111.431 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.64 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.37 34.44 5.22 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 120.313 -1.492 . . . . 0.0 108.03 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.529 ' O ' HG22 ' A' ' 86' ' ' VAL . . . -92.4 50.25 1.59 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.249 -0.907 . . . . 0.0 110.168 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -153.95 -141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 120.993 -1.067 . . . . 0.0 113.168 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 3.7 mptt -43.48 -33.92 1.22 Allowed 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.196 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -36.61 -72.98 0.05 Allowed 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 122.239 1.019 . . . . 0.0 109.878 -178.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.683 ' HG2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -81.82 -27.33 33.67 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 1.011 ' HA ' HD13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -49.99 -21.17 1.13 Allowed 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 176.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -88.47 -46.96 8.7 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 104.298 -2.482 . . . . 0.0 104.298 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.9 t -38.78 -51.43 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.668 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 tttp -60.39 -56.47 21.11 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.6 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.7 t70 -39.23 -24.3 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.778 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER -89.4 -42.97 11.21 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.743 HD22 ' OH ' ' A' ' 47' ' ' TYR . 5.5 mt -41.06 -58.98 1.6 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.491 0.662 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.668 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.87 -1.43 11.73 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.29 -0.964 . . . . 0.0 110.622 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.96 -28.34 16.49 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -92.92 -26.06 17.76 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 121.355 -0.841 . . . . 0.0 109.237 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG3' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -42.13 -33.69 0.63 Allowed Pre-proline 0 C--N 1.305 -1.368 0 O-C-N 121.434 -0.791 . . . . 0.0 109.38 -178.076 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 50.4 Cg_exo -73.72 2.76 5.53 Favored 'Trans proline' 0 C--N 1.301 -1.942 0 O-C-N 124.476 1.777 . . . . 0.0 111.565 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.9 ttmt -89.96 -48.22 7.35 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.448 -0.782 . . . . 0.0 111.646 -177.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.647 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -106.81 -5.38 18.43 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.656 -0.652 . . . . 0.0 109.851 -177.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' HG2' ' CE ' ' A' ' 51' ' ' LYS . 1.4 tptp -154.52 105.2 2.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.372 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -150.68 -81.59 0.11 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.354 -0.841 . . . . 0.0 109.402 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.89 -158.17 0.65 Allowed 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.936 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.98 155.38 18.4 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.24 -0.913 . . . . 0.0 109.418 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.305 -1.366 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.401 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' ALA . 2.8 ttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -43.28 115.79 0.82 Allowed 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.466 -0.772 . . . . 0.0 109.761 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -104.55 -90.96 0.38 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.386 -0.822 . . . . 0.0 109.748 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' H ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -42.3 -58.56 2.14 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.339 -0.851 . . . . 0.0 110.111 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -173.35 3.12 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.162 -0.961 . . . . 0.0 109.846 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 5.3 mp0 -115.97 163.19 16.27 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.76 164.73 4.47 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.103 -0.998 . . . . 0.0 110.215 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' HB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 p -98.01 154.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.961 ' CD2' HD21 ' A' ' 99' ' ' LEU . 9.2 tp -99.05 -55.38 2.72 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.681 -0.808 . . . . 0.0 113.117 -175.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 43.9 tp -159.06 149.99 19.98 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 119.501 -1.999 . . . . 0.0 111.792 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.984 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -121.36 129.86 75.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.024 HG11 ' CG2' ' A' ' 92' ' ' VAL . 3.3 m -127.41 131.98 69.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.957 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -80.83 -81.24 0.13 Allowed 'General case' 0 C--O 1.19 -2.027 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.042 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 115.01 1.21 Allowed 'General case' 0 C--N 1.267 -2.979 0 O-C-N 119.941 -1.724 . . . . 0.0 112.074 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.029 HG21 ' HB2' ' A' ' 24' ' ' LEU . 45.1 t -142.79 145.8 22.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.605 172.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -124.11 130.73 53.05 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 19' ' ' LYS . 10.8 pt20 -136.95 135.73 37.95 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.5 mttt -36.17 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.817 -0.552 . . . . 0.0 111.727 -173.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 ptpt -83.45 -55.13 4.48 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.288 -1.508 . . . . 0.0 110.406 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 23.3 mm100 -151.38 168.89 23.42 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.816 0.817 . . . . 0.0 111.456 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -105.9 127.77 53.35 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 101.155 -3.646 . . . . 0.0 101.155 176.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.815 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.06 166.78 36.47 Favored Glycine 0 C--N 1.297 -1.59 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.957 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.59 155.29 22.12 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 120.527 -1.572 . . . . 0.0 111.906 -176.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.029 ' HB2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt -118.09 121.97 41.92 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.214 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CE1' HG13 ' A' ' 11' ' ' ILE . 22.1 m-85 -110.21 124.77 52.19 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.85 HD12 HD11 ' A' ' 31' ' ' ILE . 10.3 tt -112.69 134.18 54.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 119.659 -1.901 . . . . 0.0 110.25 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.54 ' CE ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -109.88 153.39 24.53 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.62 -55.25 1.14 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.629 -0.67 . . . . 0.0 111.685 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -103.29 18.17 22.39 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 120.254 -1.529 . . . . 0.0 112.313 -177.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.7 OUTLIER -163.85 166.86 21.43 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.005 -1.684 . . . . 0.0 112.636 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.85 HD11 HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -114.44 146.28 19.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -138.31 146.4 42.37 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 120.574 -1.329 . . . . 0.0 112.254 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.884 ' CD1' ' HZ ' ' A' ' 77' ' ' PHE . 11.6 t90 -113.64 146.63 39.47 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.923 0.868 . . . . 0.0 110.643 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.63 112.58 2.97 Favored Pre-proline 0 C--N 1.3 -1.574 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.1 Cg_endo -114.0 -153.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.358 0 O-C-N 124.036 1.545 . . . . 0.0 108.71 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -85.62 47.91 1.51 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.955 -1.091 . . . . 0.0 108.797 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.97 -137.61 0.06 OUTLIER Glycine 0 C--N 1.307 -1.054 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.39 43.93 2.73 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.188 -1.183 . . . . 0.0 110.095 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.0 OUTLIER -160.32 -105.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.32 -50.45 0.15 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -100.87 -175.89 3.02 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.236 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.699 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -154.98 -30.64 0.1 Allowed 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.527 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.764 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -145.0 151.06 15.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 120.88 -1.137 . . . . 0.0 110.6 -178.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.2 t -158.93 109.88 2.07 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.325 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.762 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.52 117.47 26.89 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 121.251 -0.905 . . . . 0.0 109.339 178.757 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.588 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 2.3 mtt -61.56 127.67 32.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HE2' HD13 ' A' ' 99' ' ' LEU . 1.7 m-85 -46.07 -46.28 16.72 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.769 -1.207 . . . . 0.0 109.923 -177.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.5 -28.13 67.58 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.988 -1.695 . . . . 0.0 108.337 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.7 m-20 -65.73 -4.89 7.19 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.687 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.911 ' CG2' HD22 ' A' ' 69' ' ' LEU . 22.1 pt -142.53 136.65 28.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HD3' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -132.3 103.47 6.23 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 119.281 -2.137 . . . . 0.0 111.827 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.745 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 172.82 132.4 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.964 ' CG ' HD13 ' A' ' 100' ' ' LEU . 21.8 mp0 -143.83 131.36 21.11 Favored 'General case' 0 C--N 1.285 -2.215 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.154 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.07 113.25 4.89 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.619 HG22 ' CB ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -140.42 101.66 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 O-C-N 121.096 -1.002 . . . . 0.0 109.326 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.634 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -120.53 29.16 0.15 Allowed Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.433 -0.792 . . . . 0.0 110.605 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.768 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 2.4 Cg_endo -60.54 -8.18 8.49 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 116.361 -1.96 . . . . 0.0 111.978 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -18.78 27.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.762 -1.211 . . . . 0.0 107.802 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.07 24.65 2.39 Favored Glycine 0 CA--C 1.539 1.552 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 7.7 mmmt -92.74 -110.71 0.1 Allowed 'General case' 0 C--N 1.312 -1.05 0 O-C-N 120.671 -1.487 . . . . 0.0 110.433 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' C ' ' HD2' ' A' ' 62' ' ' LYS . . . -117.9 -47.91 2.58 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.099 -1.001 . . . . 0.0 109.016 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 1.257 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.79 25.27 0.01 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.009 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.257 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 112.25 80.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 120.347 1.43 . . . . 0.0 112.698 177.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.559 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 3.1 pt20 -123.91 134.46 53.53 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.883 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.15 167.21 15.72 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.616 -1.303 . . . . 0.0 109.899 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -148.79 137.66 21.44 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 120.862 -1.148 . . . . 0.0 111.402 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -137.59 150.7 47.64 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 74' ' ' THR . 2.9 t -126.66 158.78 36.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.127 -1.429 . . . . 0.0 110.81 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.77 140.79 30.06 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.514 -177.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.502 ' C ' ' O ' ' A' ' 69' ' ' LEU . 12.2 p80 -46.27 -31.91 2.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -69.18 -155.3 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.335 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.73 54.8 0.53 Allowed Glycine 0 C--N 1.293 -1.807 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.599 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 33.9 m-20 -135.89 130.56 34.0 Favored 'General case' 0 C--N 1.289 -2.052 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.325 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.978 HG23 HG22 ' A' ' 68' ' ' VAL . 1.3 m -107.15 158.65 16.92 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.611 HG21 ' CE1' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -128.87 109.55 11.36 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 179.135 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -108.94 130.44 55.45 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.971 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -136.58 147.51 47.03 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 118.128 -1.429 . . . . 0.0 109.423 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.845 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 42.4 t-80 -148.91 164.79 33.47 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.89 1.329 . . . . 0.0 111.285 -177.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.845 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 65.5 m-85 -127.37 143.14 51.27 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.59 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -168.89 124.38 0.91 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 119.209 -2.182 . . . . 0.0 109.382 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 85' ' ' ALA . 27.2 m120 -150.63 169.98 20.28 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.146 -0.971 . . . . 0.0 109.484 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -48.95 -48.13 43.27 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -150.47 16.56 0.81 Allowed 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.473 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.451 ' OG1' ' CG ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER -103.23 -0.06 30.94 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 120.404 -1.435 . . . . 0.0 109.485 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -91.58 75.44 5.86 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.053 -1.03 . . . . 0.0 108.726 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 85' ' ' ALA . 15.9 m -153.53 -119.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 O-C-N 121.704 -0.623 . . . . 0.0 110.736 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -37.76 -65.54 0.32 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.48 -0.762 . . . . 0.0 111.477 -179.196 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG3' ' NE ' ' A' ' 89' ' ' ARG . 0.5 OUTLIER -36.97 -72.68 0.06 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.752 0.787 . . . . 0.0 109.42 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 1.006 ' HB2' HG21 ' A' ' 63' ' ' ILE . 5.0 mmt180 -51.79 -38.05 54.0 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -58.88 -17.93 28.5 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -88.86 -39.59 13.72 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.024 ' CG2' HG11 ' A' ' 12' ' ' VAL . 37.8 t -55.39 -67.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.77 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 2.2 tttt -51.37 -38.75 54.92 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.585 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.4 t70 -52.21 -28.09 17.18 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.512 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.75 HD12 HD21 ' A' ' 9' ' ' LEU . 3.5 mm? -92.56 -48.13 6.77 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.992 -1.068 . . . . 0.0 109.359 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.773 ' HA ' HD12 ' A' ' 99' ' ' LEU . 5.9 mt -44.13 -68.42 0.2 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.494 -0.754 . . . . 0.0 112.482 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.77 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -58.36 -2.99 0.23 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.13 -0.981 . . . . 0.0 111.215 -178.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -98.44 -30.87 12.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.938 -1.101 . . . . 0.0 108.864 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -88.58 -35.23 17.01 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 67' ' ' LEU . 18.8 mt -51.51 -34.35 13.61 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.64 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 31.2 Cg_exo -71.81 -1.7 10.31 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.309 1.689 . . . . 0.0 110.744 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 80.2 tttt -91.73 -37.11 13.2 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.279 -0.888 . . . . 0.0 110.819 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.676 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -109.91 0.39 18.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.636 -178.196 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.564 ' CE ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -66.5 -170.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -124.53 133.79 53.2 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.214 -0.929 . . . . 0.0 109.853 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.11 24.98 0.17 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.285 -0.884 . . . . 0.0 109.462 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.61 89.56 5.4 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.223 -0.923 . . . . 0.0 109.443 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.9 -167.96 1.78 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.309 -0.869 . . . . 0.0 109.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 115.04 2.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.263 -0.898 . . . . 0.0 109.434 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -104.76 121.46 43.67 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.237 -0.914 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.77 -76.57 0.34 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.198 -0.939 . . . . 0.0 109.586 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HG3' ' CE ' ' A' ' 27' ' ' MET . 2.5 pm0 -71.76 162.66 29.12 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.209 -0.932 . . . . 0.0 110.1 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.05 113.13 19.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 26' ' ' LEU . 2.5 p -98.74 154.65 3.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 120.127 -1.608 . . . . 0.0 108.911 -178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.915 HD21 ' CD1' ' A' ' 95' ' ' LEU . 13.6 tp -99.24 -48.53 4.79 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.589 -0.844 . . . . 0.0 113.116 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 10' ' ' LEU . 12.7 tp -158.04 167.6 29.43 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 119.377 -2.077 . . . . 0.0 111.342 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -139.09 137.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -124.29 96.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 122.266 1.031 . . . . 0.0 109.966 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.703 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.95 -18.66 3.67 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.979 0.895 . . . . 0.0 111.113 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.6 tptp -115.18 118.61 33.82 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.638 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.072 HG21 ' HB2' ' A' ' 24' ' ' LEU . 11.5 t -150.37 146.43 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 C-N-CA 117.878 -1.529 . . . . 0.0 108.858 174.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.58 127.49 50.96 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.877 -177.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.66 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.5 pt20 -132.8 132.5 42.26 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.26 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.987 -0.446 . . . . 0.0 110.976 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' ' 17' ' ' GLN . 15.5 ptmt -80.12 -54.82 5.41 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.594 -1.316 . . . . 0.0 110.088 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.66 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 16.7 mm-40 -151.37 168.49 24.65 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.744 0.783 . . . . 0.0 110.927 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -106.12 130.54 54.0 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 101.019 -3.697 . . . . 0.0 101.019 176.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.618 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.85 166.05 36.02 Favored Glycine 0 C--N 1.292 -1.909 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 132.56 34.35 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.994 1.378 . . . . 0.0 110.183 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.072 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.27 132.87 53.24 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.178 -176.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD12 ' A' ' 11' ' ' ILE . 9.5 m-85 -109.85 139.19 45.21 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.989 HD12 HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -113.0 133.54 54.91 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 119.807 -1.808 . . . . 0.0 107.58 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.562 ' HG2' ' NH2' ' A' ' 30' ' ' ARG . 6.0 ttt -126.03 140.42 52.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -39.89 -58.26 1.42 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.775 0.798 . . . . 0.0 109.057 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.8 tp10 -86.93 -10.03 54.26 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -175.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.64 163.75 36.63 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 119.216 -2.177 . . . . 0.0 112.686 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.989 HD11 HD12 ' A' ' 26' ' ' LEU . 2.0 mm -110.79 136.06 47.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -123.21 147.26 47.07 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 120.971 -1.081 . . . . 0.0 110.728 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.82 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 17.4 t90 -124.98 140.66 52.72 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.37 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.09 120.98 3.62 Favored Pre-proline 0 C--N 1.296 -1.721 0 O-C-N 121.927 -0.483 . . . . 0.0 109.99 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 3.2 Cg_endo -112.16 -60.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.728 1.383 . . . . 0.0 110.38 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 171.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.386 -0.821 . . . . 0.0 109.805 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 38' ' ' LYS . . . -97.44 -31.16 6.92 Favored Glycine 0 C--N 1.305 -1.142 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -53.9 -99.45 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.237 -1.155 . . . . 0.0 109.135 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -77.65 60.74 2.23 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 120.907 -1.12 . . . . 0.0 109.184 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -20.52 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.818 0.818 . . . . 0.0 111.541 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' ARG . 23.5 m-85 -44.94 115.73 0.95 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 121.926 0.87 . . . . 0.0 110.055 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.692 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -116.04 -15.49 11.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.409 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.833 HD13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -151.25 159.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 118.991 -1.083 . . . . 0.0 112.112 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 9.5 t -168.07 101.87 0.45 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.287 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.833 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.9 121.89 46.28 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.004 -1.06 . . . . 0.0 109.659 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 50' ' ' ILE . 5.6 mtt -69.91 108.73 4.13 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.011 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.858 ' HA ' HD12 ' A' ' 50' ' ' ILE . 2.1 m-30 -39.48 -46.08 1.64 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.728 -0.608 . . . . 0.0 110.368 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.84 -46.16 79.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 119.43 -2.043 . . . . 0.0 107.809 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.681 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 5.8 m-20 -48.09 -33.89 8.87 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.067 HG13 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -113.0 160.19 12.65 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.32 -177.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -150.19 103.66 3.19 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 119.246 -2.159 . . . . 0.0 113.382 -179.545 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.704 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.12 137.13 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.9 ' CB ' HD12 ' A' ' 100' ' ' LEU . 3.3 mm-40 -143.61 128.24 18.12 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 117.745 -1.582 . . . . 0.0 111.273 -177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.933 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -131.97 112.94 12.83 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.404 -1.271 . . . . 0.0 107.655 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.933 HD13 ' O ' ' A' ' 54' ' ' LYS . 4.1 mm -142.84 100.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 C-N-CA 118.345 -1.342 . . . . 0.0 110.3 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.675 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -119.68 23.68 0.1 Allowed Pre-proline 0 C--N 1.298 -1.652 0 O-C-N 121.618 -0.676 . . . . 0.0 110.665 178.064 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.836 ' HD2' HG22 ' A' ' 55' ' ' ILE . 1.9 Cg_endo -78.7 55.13 5.39 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 114.541 -3.172 . . . . 0.0 112.27 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.84 -31.88 10.95 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.96 38.01 1.38 Allowed Glycine 0 CA--C 1.534 1.277 0 N-CA-C 106.684 -2.566 . . . . 0.0 106.684 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -102.68 -174.77 2.64 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.334 -1.098 . . . . 0.0 112.638 -176.267 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.619 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -36.75 -69.27 0.12 Allowed 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.838 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 1.076 ' O ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -166.37 34.05 0.04 OUTLIER 'General case' 0 C--O 1.201 -1.497 0 C-N-CA 118.389 -1.324 . . . . 0.0 112.648 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.076 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 103.08 61.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 CA-C-N 120.444 1.474 . . . . 0.0 112.89 177.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -108.59 132.46 53.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 119.638 -1.914 . . . . 0.0 111.918 -177.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.859 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -118.19 161.0 20.6 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 120.887 -1.133 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.6 tt0 -150.21 132.85 15.82 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-O 121.662 0.744 . . . . 0.0 110.354 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.067 HD21 HG13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.89 155.35 45.52 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -178.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.05 157.7 43.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 123.1 1.428 . . . . 0.0 110.89 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.86 145.55 25.07 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 113.65 -1.614 . . . . 0.0 109.418 -176.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 8.3 p80 -48.92 -27.84 3.39 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -78.74 -154.3 0.08 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.5 53.16 0.6 Allowed Glycine 0 C--N 1.296 -1.651 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.642 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 4.9 m-20 -129.05 131.26 47.32 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.003 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.69 165.07 11.7 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.709 ' OG1' HD23 ' A' ' 67' ' ' LEU . 1.9 m -132.32 106.63 8.03 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' HG3' ' A' ' 66' ' ' GLN . 1.5 m-80 -111.59 136.98 50.05 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.795 -1.191 . . . . 0.0 107.847 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.974 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -148.97 147.54 28.72 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 117.695 -1.602 . . . . 0.0 111.312 -179.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.688 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.3 t-80 -137.44 163.3 31.43 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.266 1.031 . . . . 0.0 109.805 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CD2' HG22 ' A' ' 15' ' ' VAL . 6.9 m-85 -136.87 134.56 36.99 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.485 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -177.62 151.59 0.74 Allowed 'General case' 0 C--N 1.309 -1.176 0 O-C-N 117.738 -3.101 . . . . 0.0 111.096 175.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.776 ' H ' ' HB2' ' A' ' 85' ' ' ALA . 3.2 m-80 -150.89 176.23 11.28 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -81.49 6.28 15.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 108.416 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.88 -32.96 0.16 Allowed 'General case' 0 C--N 1.31 -1.119 0 O-C-N 121.327 -0.858 . . . . 0.0 111.589 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.726 HG23 ' OE1' ' A' ' 88' ' ' GLU . 4.9 m -88.84 -31.39 18.32 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.729 -1.232 . . . . 0.0 111.861 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.776 ' HB2' ' H ' ' A' ' 81' ' ' ASN . . . -46.83 77.72 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.207 0 O-C-N 121.282 -0.886 . . . . 0.0 112.081 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.659 ' N ' ' O ' ' A' ' 84' ' ' THR . 1.9 t -152.68 -135.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 121.54 0.686 . . . . 0.0 111.58 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.3 mttt -52.12 -42.98 63.75 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 121.469 -0.769 . . . . 0.0 111.775 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.726 ' OE1' HG23 ' A' ' 84' ' ' THR . 0.9 OUTLIER -38.38 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.638 1.208 . . . . 0.0 110.238 -179.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.67 HH21 HG21 ' A' ' 84' ' ' THR . 10.3 mmt180 -56.54 -42.55 78.69 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -58.34 -11.58 2.92 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.969 178.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.637 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.02 -37.61 11.04 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.992 -1.067 . . . . 0.0 108.64 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -65.18 -40.89 90.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 177.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.703 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -67.23 -40.48 86.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.665 ' C ' HE22 ' A' ' 97' ' ' GLN . 50.5 t0 -55.57 -22.07 20.23 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.915 ' CD1' HD21 ' A' ' 9' ' ' LEU . 3.6 mm? -91.22 -44.95 8.91 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.706 ' HA ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -36.96 -68.94 0.13 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.764 0.792 . . . . 0.0 111.115 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.703 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.25 -0.81 0.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.695 -0.628 . . . . 0.0 111.636 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -101.22 -28.89 12.4 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.229 -0.919 . . . . 0.0 108.871 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -87.17 -35.76 18.41 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.34 -0.85 . . . . 0.0 109.116 179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.9 HD12 ' CB ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -43.13 -40.43 5.43 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 42.8 Cg_exo -60.38 -38.06 77.27 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 O-C-N 124.505 1.792 . . . . 0.0 110.454 178.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.1 tttt -48.9 -49.08 41.61 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.419 0.628 . . . . 0.0 111.197 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 1.5 p90 -115.75 -0.13 13.02 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.461 -0.774 . . . . 0.0 109.84 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 100' ' ' LEU . 1.2 mtpm? -149.74 99.01 2.82 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.251 -0.906 . . . . 0.0 109.319 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -114.09 -57.28 2.3 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 134.9 33.49 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.211 -0.931 . . . . 0.0 109.427 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.71 -12.04 46.46 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.254 -0.904 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.304 -1.372 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.393 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.73 -79.81 0.49 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.233 -0.917 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 t -77.94 146.69 35.36 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.223 -0.923 . . . . 0.0 109.438 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' SER . 0.6 OUTLIER -87.16 -35.76 18.42 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.229 -0.919 . . . . 0.0 109.681 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -54.39 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 109.353 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 5.1 mp0 -119.45 156.16 30.7 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -104.55 163.43 12.47 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.609 -1.307 . . . . 0.0 108.065 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.118 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.7 m -98.42 154.68 3.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 120.601 -1.312 . . . . 0.0 109.02 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.54 HD21 HD12 ' A' ' 95' ' ' LEU . 15.0 tp -99.19 -54.21 3.03 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.632 -0.827 . . . . 0.0 112.563 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 163.54 37.89 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 119.517 -1.989 . . . . 0.0 112.173 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.02 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.35 143.07 30.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 121.63 0.728 . . . . 0.0 110.384 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.816 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -123.46 128.66 74.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.703 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.46 -81.63 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.838 0 O-C-N 120.953 -1.092 . . . . 0.0 113.551 -175.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -109.22 104.1 13.19 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 118.884 -2.385 . . . . 0.0 115.086 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 24' ' ' LEU . 93.0 t -106.12 166.23 3.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -119.6 137.67 53.71 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.669 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 10.1 pt20 -141.68 148.28 38.84 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.82 -19.97 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.325 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG2' ' CG ' ' A' ' 17' ' ' GLN . 6.0 ptmm? -101.77 -53.9 2.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 120.106 -1.621 . . . . 0.0 111.379 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.37 168.89 23.39 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.942 0.877 . . . . 0.0 111.213 -173.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.58 134.29 48.94 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 177.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 166.12 35.57 Favored Glycine 0 C--N 1.29 -2.021 0 N-CA-C 106.946 -2.462 . . . . 0.0 106.946 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -82.73 146.56 28.95 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.947 -1.913 . . . . 0.0 108.54 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.059 HD11 ' CG ' ' A' ' 77' ' ' PHE . 1.2 mt -108.71 123.64 49.31 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.684 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 1.02 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 3.5 m-85 -109.89 137.11 48.13 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 15.7 tp -118.68 136.01 54.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 119.56 -1.962 . . . . 0.0 107.382 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 1.118 ' CE ' HG12 ' A' ' 8' ' ' VAL . 2.5 ttm -119.35 155.62 31.57 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.52 -55.62 1.08 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.656 -0.652 . . . . 0.0 111.207 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -108.21 9.71 28.03 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 120.172 -1.58 . . . . 0.0 112.463 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -155.65 165.6 36.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 119.275 -2.14 . . . . 0.0 112.754 -179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.725 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -115.98 125.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.759 ' HB1' ' CG ' ' A' ' 41' ' ' PHE . . . -109.78 152.63 25.45 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.294 -0.879 . . . . 0.0 109.953 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.97 ' O ' HG22 ' A' ' 42' ' ' THR . 28.4 t90 -136.48 141.1 43.47 Favored 'General case' 0 C--O 1.199 -1.598 0 O-C-N 121.421 -0.799 . . . . 0.0 109.704 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.956 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.99 123.87 4.17 Favored Pre-proline 0 C--N 1.296 -1.719 0 C-N-CA 119.408 -0.917 . . . . 0.0 112.02 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.595 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 2.7 Cg_endo -98.19 -60.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.653 0 O-C-N 123.897 1.472 . . . . 0.0 108.57 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 35' ' ' PRO . 4.1 mt-10 -155.59 89.29 1.17 Allowed 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.432 -0.792 . . . . 0.0 109.173 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.83 -160.34 8.4 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 -21.62 8.39 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.295 -1.12 . . . . 0.0 109.803 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 40' ' ' ARG . 1.1 m-20 -73.99 159.06 33.25 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -42.26 -31.78 0.43 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 122.288 1.042 . . . . 0.0 108.845 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.956 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -156.79 -166.04 2.01 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.806 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 1.017 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.8 t -103.12 -33.35 9.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.755 -0.591 . . . . 0.0 109.453 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.017 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -146.65 168.26 6.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 O-C-N 121.043 -1.036 . . . . 0.0 109.593 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 43' ' ' ILE . 3.3 p -157.47 119.53 3.78 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.725 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -114.59 123.36 49.15 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.98 -1.075 . . . . 0.0 110.158 -179.416 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.513 ' CB ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -67.16 109.16 2.94 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.639 ' HB3' ' CD1' ' A' ' 103' ' ' PHE . 1.9 m-30 -40.74 -42.87 1.86 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.538 -0.727 . . . . 0.0 109.951 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 50' ' ' ILE . . . -67.26 -46.22 74.35 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.334 -1.479 . . . . 0.0 108.047 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 46' ' ' MET . 9.8 m-20 -45.26 -29.8 1.08 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.986 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.8 pp -112.93 160.94 12.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.347 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.628 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -147.29 102.84 3.52 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 116.868 -1.933 . . . . 0.0 110.72 176.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.77 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.5 127.92 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.927 ' HG3' HD12 ' A' ' 67' ' ' LEU . 28.3 mp0 -143.51 127.19 17.07 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 117.813 -1.555 . . . . 0.0 111.246 -177.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -147.36 113.79 5.95 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -142.63 101.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 120.992 -1.067 . . . . 0.0 109.837 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.658 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -120.74 25.56 0.12 Allowed Pre-proline 0 C--N 1.298 -1.654 0 O-C-N 121.215 -0.928 . . . . 0.0 111.277 178.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.769 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 1.2 Cg_endo -64.14 -4.05 7.08 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 116.281 -2.013 . . . . 0.0 112.255 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -62.22 -13.93 32.89 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.728 -1.233 . . . . 0.0 108.193 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.89 21.72 2.14 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.1 mmpt? -103.73 -170.84 1.84 Allowed 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.751 -1.441 . . . . 0.0 112.418 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.869 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -38.01 -69.21 0.13 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.382 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 1.139 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -169.21 29.79 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.886 0 CA-C-O 116.725 -1.607 . . . . 0.0 111.857 178.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.139 HG22 ' O ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER 113.14 81.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.8 1.636 . . . . 0.0 112.198 177.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' H ' ' HB3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -132.15 140.22 48.68 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 178.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.958 HD11 ' CB ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -129.34 162.45 27.95 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.741 -1.224 . . . . 0.0 109.717 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.518 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -142.83 120.26 11.67 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.762 0.791 . . . . 0.0 110.904 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.986 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -127.69 152.08 48.16 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.326 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.122 HG22 HG23 ' A' ' 74' ' ' THR . 2.4 t -131.31 157.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 C-N-CA 117.22 -1.792 . . . . 0.0 112.252 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -91.38 145.08 24.93 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.484 -176.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.628 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 93.1 m-70 -45.35 -32.41 2.04 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -74.93 -153.87 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.431 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.96 50.56 0.76 Allowed Glycine 0 C--N 1.299 -1.476 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.614 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 44.0 m-20 -128.64 127.78 42.87 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.488 -0.931 . . . . 0.0 108.488 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.122 HG23 HG22 ' A' ' 68' ' ' VAL . 10.5 m -108.68 160.26 16.08 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -118.5 115.46 24.66 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.518 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 76.1 m-20 -115.26 122.14 45.04 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.059 ' CG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.62 144.56 51.33 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.689 -1.604 . . . . 0.0 109.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.773 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 50.3 t-80 -148.85 142.96 25.96 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.575 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.816 ' HE2' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -117.73 141.65 48.16 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.065 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.945 ' C ' ' HB3' ' A' ' 85' ' ' ALA . 5.7 t -128.65 -55.35 1.23 Allowed 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 122.008 2.186 . . . . 0.0 114.664 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.636 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -29.2 91.99 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.168 0.509 . . . . 0.0 110.939 -176.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' SER . 2.5 tm-20 -35.28 -42.74 0.2 Allowed 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.562 -0.711 . . . . 0.0 110.893 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -65.49 -38.22 89.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 110.153 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.2 p -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.139 -0.976 . . . . 0.0 110.841 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.945 ' HB3' ' C ' ' A' ' 80' ' ' SER . . . -90.92 79.73 5.86 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.084 -1.01 . . . . 0.0 113.573 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.9 HG23 ' OE2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -149.43 -112.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.704 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.3 tttt -54.1 -65.12 0.63 Allowed 'General case' 0 C--O 1.205 -1.245 0 O-C-N 120.615 -1.303 . . . . 0.0 111.297 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.9 ' OE2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -35.56 -67.1 0.17 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.991 -1.068 . . . . 0.0 110.655 -178.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.633 HH11 HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -58.97 -29.82 67.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.704 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.2 t0 -61.73 -16.33 48.35 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 94' ' ' ASP . . . -87.71 -30.25 20.49 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 12' ' ' VAL . 42.4 t -59.07 -70.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 176.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.746 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -46.52 -36.96 7.28 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.587 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 33.6 t0 -52.97 -30.59 35.82 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 9' ' ' LEU . 3.2 mm? -92.82 -42.87 9.3 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.313 -0.867 . . . . 0.0 109.104 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.9 mt -43.1 -68.09 0.22 Allowed 'General case' 0 C--N 1.308 -1.198 0 O-C-N 121.614 -0.679 . . . . 0.0 112.022 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.746 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -61.51 -0.99 0.47 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 120.616 -1.303 . . . . 0.0 110.85 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -90.94 -39.75 12.09 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.047 -1.033 . . . . 0.0 108.504 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -82.5 -26.6 32.41 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.248 -0.908 . . . . 0.0 108.952 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 53' ' ' GLN . 20.7 mt -56.48 -37.17 54.57 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 38.1 Cg_exo -69.97 -4.18 13.65 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.203 1.633 . . . . 0.0 110.623 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -85.93 -29.73 23.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 0.0 110.389 -179.104 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.639 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -122.49 1.33 9.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.229 -0.92 . . . . 0.0 109.802 -178.156 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.49 -178.92 3.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.252 -0.905 . . . . 0.0 109.265 179.552 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -88.58 78.78 7.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.199 -0.938 . . . . 0.0 109.154 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.67 110.93 22.27 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.5 49.67 0.84 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.307 -0.871 . . . . 0.0 109.37 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.305 -1.348 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.433 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' THR . . . -139.41 -162.82 1.38 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.258 -0.901 . . . . 0.0 109.418 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -46.39 -53.3 11.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.28 -0.887 . . . . 0.0 109.466 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -48.35 132.16 16.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -118.85 -143.33 0.36 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.273 -0.892 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 5.5 mp0 -62.54 162.19 10.79 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.008 -1.057 . . . . 0.0 109.409 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.59 112.34 19.2 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.453 -0.779 . . . . 0.0 109.0 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.591 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.6 m -98.84 155.28 3.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 120.596 -1.315 . . . . 0.0 109.679 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.758 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.6 tp -98.72 -50.14 4.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.067 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.738 ' CD2' HG22 ' A' ' 92' ' ' VAL . 5.0 tt -159.1 148.17 18.49 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.46 -2.025 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.081 HD13 ' CG ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -140.23 150.37 21.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-O 122.823 1.297 . . . . 0.0 111.117 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.782 HG21 ' HE1' ' A' ' 79' ' ' PHE . 35.8 m -134.84 113.52 16.38 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -59.23 -18.19 34.7 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.866 179.306 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.608 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 1.1 tptt -117.7 122.01 42.37 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.988 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.023 HG21 ' HB2' ' A' ' 24' ' ' LEU . 22.7 t -151.49 151.88 11.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 172.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -123.42 130.75 53.16 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-O 121.73 0.776 . . . . 0.0 109.575 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.612 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 16.3 pt20 -137.06 131.0 32.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.68 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.682 -0.636 . . . . 0.0 111.402 -174.168 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.648 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -74.96 -57.45 3.89 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.614 -1.304 . . . . 0.0 110.15 178.259 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.648 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 7.9 tt0 -152.14 168.59 24.83 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.71 -0.619 . . . . 0.0 109.8 -173.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -105.77 128.48 53.73 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 176.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.606 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.52 165.65 35.65 Favored Glycine 0 C--N 1.294 -1.779 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.604 ' CB ' ' HA ' ' A' ' 13' ' ' LYS . . . -84.31 136.24 33.99 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 123.147 1.451 . . . . 0.0 111.7 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.041 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.68 131.78 54.03 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.02 -176.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 1.081 ' CG ' HD13 ' A' ' 11' ' ' ILE . 30.9 m-85 -111.47 131.5 55.17 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.385 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 99' ' ' LEU . 2.6 tt -109.99 128.53 55.45 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.591 ' CE ' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -118.1 153.15 34.25 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.16 -55.68 0.96 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.982 -0.449 . . . . 0.0 110.985 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.2 tt0 -105.92 5.15 30.3 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.357 -1.464 . . . . 0.0 112.406 -177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -158.83 165.57 33.92 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 119.12 -2.237 . . . . 0.0 113.423 -179.239 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 26' ' ' LEU . 1.2 mm -108.87 136.67 43.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -125.18 150.24 47.15 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.958 -1.089 . . . . 0.0 111.118 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.88 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 21.9 t90 -123.61 143.92 49.92 Favored 'General case' 0 C--O 1.193 -1.872 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.29 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.049 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.56 165.24 17.86 Favored Pre-proline 0 C--N 1.295 -1.768 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.652 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 1.8 Cg_endo -108.0 -162.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.81 1.427 . . . . 0.0 108.84 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 83.5 2.16 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.945 -1.097 . . . . 0.0 109.371 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.1 -58.32 0.01 OUTLIER Glycine 0 CA--C 1.532 1.114 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -96.88 -172.74 2.53 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.123 -1.222 . . . . 0.0 109.975 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.88 48.07 1.28 Allowed 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.381 -0.825 . . . . 0.0 109.502 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 7.4 ptm180 -157.34 -139.66 0.07 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.33 -0.856 . . . . 0.0 108.914 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.049 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -126.0 177.73 6.17 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 123.404 1.573 . . . . 0.0 112.257 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -125.61 2.18 7.56 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 113.204 -1.817 . . . . 0.0 106.773 178.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -154.55 154.3 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 121.551 -0.718 . . . . 0.0 109.821 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 p -162.66 101.95 1.04 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.039 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.795 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.81 115.45 29.85 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.122 -0.986 . . . . 0.0 109.363 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.567 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.41 115.26 4.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.492 -0.755 . . . . 0.0 109.496 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.91 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.4 m-30 -39.86 -43.69 1.51 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.808 -0.558 . . . . 0.0 109.871 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.5 86.14 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 120.107 -1.62 . . . . 0.0 107.68 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.1 m-20 -62.12 -5.47 2.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.652 177.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.034 HG21 HD21 ' A' ' 67' ' ' LEU . 1.3 mt -131.69 140.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -147.22 103.04 3.55 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 116.373 -2.131 . . . . 0.0 111.145 175.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.862 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER 172.68 121.74 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 176.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 1.091 ' CB ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -143.5 120.8 11.57 Favored 'General case' 0 C--N 1.279 -2.492 0 C-N-CA 116.978 -1.889 . . . . 0.0 111.805 -177.352 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.796 ' C ' HD12 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.34 112.65 14.67 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.055 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.796 HD12 ' C ' ' A' ' 54' ' ' LYS . 1.3 mp -115.58 102.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 118.677 -1.209 . . . . 0.0 109.384 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.854 ' N ' ' HD3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -120.24 80.04 27.9 Favored Pre-proline 0 C--N 1.303 -1.441 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.724 178.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.854 ' HD3' ' N ' ' A' ' 56' ' ' SER . 4.6 Cg_endo -141.1 20.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.483 0.895 0 C-N-CA 115.046 -2.836 . . . . 0.0 110.59 175.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -78.19 -30.02 48.79 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.22 -0.925 . . . . 0.0 108.964 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -143.74 44.63 0.92 Allowed Glycine 0 C--N 1.3 -1.462 0 N-CA-C 106.724 -2.551 . . . . 0.0 106.724 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 56' ' ' SER . 1.8 mmtp -116.4 -169.0 1.53 Allowed 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.235 -1.156 . . . . 0.0 112.595 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.698 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -36.62 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.606 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.885 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -172.53 52.78 0.02 OUTLIER 'General case' 0 C--O 1.194 -1.831 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.959 177.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.924 HD13 ' HA ' ' A' ' 90' ' ' ASP 0.335 1.0 OUTLIER 81.94 82.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-N 120.962 1.71 . . . . 0.0 114.204 -179.602 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -131.78 141.66 49.54 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.411 -1.268 . . . . 0.0 107.897 177.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.871 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.27 166.82 20.36 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.543 -1.348 . . . . 0.0 111.178 -179.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -142.08 134.88 28.53 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.826 0.822 . . . . 0.0 110.726 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.034 HD21 HG21 ' A' ' 50' ' ' ILE . 1.1 tp -141.6 137.97 32.28 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -119.25 159.05 20.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-O 122.855 1.312 . . . . 0.0 110.548 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.904 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -93.02 144.55 25.14 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.94 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 4.5 p80 -45.65 -31.24 1.83 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -72.18 -149.35 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.04 51.13 0.73 Allowed Glycine 0 C--N 1.297 -1.633 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.56 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.47 135.31 48.49 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.634 -178.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.03 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.26 154.46 21.75 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.774 -0.771 . . . . 0.0 109.082 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.6 m -123.82 112.0 16.78 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.001 -1.852 . . . . 0.0 106.001 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -109.42 135.69 50.04 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.695 -1.253 . . . . 0.0 108.636 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.041 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -140.56 151.33 44.63 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.412 -1.315 . . . . 0.0 110.613 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.705 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.2 t-80 -143.97 151.69 40.09 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.278 1.037 . . . . 0.0 110.096 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.917 ' HB2' HG23 ' A' ' 63' ' ' ILE . 62.9 m-85 -108.84 148.9 29.89 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 122.186 0.993 . . . . 0.0 111.115 -177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.574 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -177.12 110.83 0.08 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 118.84 -1.144 . . . . 0.0 112.794 177.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.608 ' ND2' ' CG ' ' A' ' 14' ' ' LYS . 3.7 m120 -138.28 165.95 25.42 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 83' ' ' SER . 9.8 pt-20 -47.39 -28.46 2.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.214 -0.928 . . . . 0.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -150.64 18.89 0.81 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 118.694 -1.202 . . . . 0.0 112.806 -179.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.639 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.9 OUTLIER -119.21 30.22 7.25 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 119.818 -1.801 . . . . 0.0 108.129 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 86' ' ' VAL . . . -92.87 46.8 1.24 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.896 -1.128 . . . . 0.0 109.851 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 85' ' ' ALA . 1.3 t -152.86 -141.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 O-C-N 121.042 -1.036 . . . . 0.0 111.624 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -51.86 -16.55 0.73 Allowed 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.474 0.654 . . . . 0.0 110.356 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.598 ' HB2' HG23 ' A' ' 84' ' ' THR . 1.0 OUTLIER -57.21 -73.67 0.06 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.462 1.125 . . . . 0.0 108.39 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.723 ' HG3' ' HB3' ' A' ' 79' ' ' PHE . 1.4 mmp_? -70.09 -34.05 72.67 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.924 ' HA ' HD13 ' A' ' 63' ' ' ILE . 1.3 t0 -42.24 -49.15 5.0 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -57.41 -54.77 43.09 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 176.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 10' ' ' LEU . 38.5 t -40.3 -54.48 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.661 ' CD ' ' HG2' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -49.74 -51.05 41.74 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.633 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 5.6 t0 -39.92 -62.86 0.66 Allowed 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 98' ' ' GLN . 1.1 mt -41.55 -56.45 2.56 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.1 mt -38.14 -68.1 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.444 0.64 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.651 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -68.73 -1.34 6.8 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 118.989 -1.084 . . . . 0.0 110.372 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.13 -36.03 15.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.982 HD21 HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -88.1 -25.08 23.2 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 121.126 -0.984 . . . . 0.0 108.449 178.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -43.04 -36.12 1.54 Allowed Pre-proline 0 C--N 1.302 -1.498 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -177.013 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 32.0 Cg_exo -75.05 4.36 4.84 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 O-C-N 124.575 1.829 . . . . 0.0 111.809 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.596 ' N ' ' O ' ' A' ' 99' ' ' LEU . 4.8 tttt -98.75 -42.98 6.96 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 112.24 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -69.52 -6.6 31.8 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.785 -1.197 . . . . 0.0 110.08 -175.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -171.05 3.25 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.459 ' NH1' ' CG ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -100.68 -162.29 0.93 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 119.567 -1.958 . . . . 0.0 108.854 179.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -134.51 21.29 3.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.044 -1.035 . . . . 0.0 109.326 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.06 -43.64 5.7 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.289 -0.882 . . . . 0.0 109.428 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.305 -1.347 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.441 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.59 -72.55 0.17 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' SER . 5.7 t -90.47 26.84 1.86 Allowed 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.238 -0.914 . . . . 0.0 109.544 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -45.86 96.46 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.524 -0.735 . . . . 0.0 109.355 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.6 m -96.63 -146.46 0.29 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.435 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.62 162.62 20.64 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.213 -0.929 . . . . 0.0 109.723 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.12 112.09 18.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.765 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.72 154.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 O-C-N 120.361 -1.462 . . . . 0.0 109.103 -177.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.093 ' CD2' HD13 ' A' ' 95' ' ' LEU . 20.9 tp -98.67 -31.01 12.14 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.482 -0.887 . . . . 0.0 113.0 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.886 HD21 HG13 ' A' ' 12' ' ' VAL . 6.2 tt -177.4 150.39 0.7 Allowed 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.133 -2.229 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -131.03 137.11 56.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.886 HG13 HD21 ' A' ' 10' ' ' LEU . 1.3 m -127.27 123.4 61.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.978 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.61 -82.0 0.03 OUTLIER 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 117.971 -1.492 . . . . 0.0 108.993 -178.651 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 13' ' ' LYS . 1.4 mptt -48.6 117.59 2.1 Favored 'General case' 0 C--N 1.274 -2.698 0 O-C-N 120.035 -1.666 . . . . 0.0 112.03 -176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.107 HG21 ' HB2' ' A' ' 24' ' ' LEU . 55.9 t -146.11 144.7 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-O 122.174 0.988 . . . . 0.0 108.55 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.78 135.99 54.93 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.613 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.4 pt20 -143.51 133.89 24.68 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.14 -25.15 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.879 -0.513 . . . . 0.0 110.727 -173.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -76.19 -58.9 3.01 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.696 -1.252 . . . . 0.0 109.521 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.619 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -151.74 169.23 22.71 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.743 0.782 . . . . 0.0 110.925 -174.651 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.634 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 m-20 -105.67 132.62 51.59 Favored 'General case' 0 C--N 1.293 -1.878 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.89 166.4 36.19 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -174.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.978 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -84.74 133.51 34.36 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.922 1.344 . . . . 0.0 110.482 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -108.54 133.87 52.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.832 -175.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 16.1 m-85 -112.26 139.03 48.15 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 95' ' ' LEU . 8.5 tt -118.42 136.91 53.5 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 119.779 -1.826 . . . . 0.0 108.399 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.765 ' SD ' HG12 ' A' ' 8' ' ' VAL . 3.4 ttp -134.32 139.67 45.84 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.56 -55.91 1.07 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.625 -0.672 . . . . 0.0 110.465 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -85.21 -16.13 41.3 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.33 -175.284 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -158.01 163.35 37.84 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.607 -1.933 . . . . 0.0 112.33 179.549 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.695 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -113.0 129.26 68.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -110.06 160.06 16.77 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.233 -0.917 . . . . 0.0 111.017 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.794 ' CE3' HG21 ' A' ' 42' ' ' THR . 21.2 t90 -139.58 144.93 38.0 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.999 0.904 . . . . 0.0 110.403 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.808 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -151.14 119.06 3.39 Favored Pre-proline 0 C--N 1.293 -1.869 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.471 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 5.3 Cg_endo -104.47 -158.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 O-C-N 123.934 1.491 . . . . 0.0 109.215 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -86.72 34.05 0.65 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.106 -0.996 . . . . 0.0 109.687 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . -62.91 -118.42 0.01 OUTLIER Glycine 0 C--O 1.215 -1.041 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -157.67 60.62 0.48 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.067 -1.255 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -161.22 -130.87 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.07 -48.7 1.46 Allowed 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.808 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 39.0 m-85 -113.12 -174.65 2.5 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.327 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.794 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -140.74 -40.83 0.41 Allowed 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.919 HD12 ' CE1' ' A' ' 45' ' ' HIS . 3.5 pt -151.56 173.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 C-N-CA 119.125 -1.03 . . . . 0.0 111.669 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.9 m -166.82 109.28 0.7 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.919 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.53 128.92 55.54 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.868 -1.145 . . . . 0.0 110.539 -178.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.1 mpp? -73.13 108.86 6.25 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.695 ' CE2' HD13 ' A' ' 99' ' ' LEU . 11.8 m-85 -30.81 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.665 -0.647 . . . . 0.0 112.29 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -65.88 -45.52 81.75 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 120.154 -1.591 . . . . 0.0 108.282 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.563 ' C ' HD13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -66.08 -5.99 11.61 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CB ' ' A' ' 45' ' ' HIS . 0.8 OUTLIER -123.5 105.81 16.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HZ3' ' HD3' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -130.52 103.33 6.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 115.9 -2.32 . . . . 0.0 113.526 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.41 140.36 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 176.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.529 ' NE2' ' HG ' ' A' ' 100' ' ' LEU . 2.5 mt-30 -142.42 120.81 12.38 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 117.031 -1.868 . . . . 0.0 111.173 -177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.707 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -119.79 113.44 20.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.314 -1.766 . . . . 0.0 108.291 -178.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 54' ' ' LYS . 8.9 mm -126.85 101.46 7.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.647 -1.283 . . . . 0.0 109.702 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.67 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -119.55 9.41 0.07 OUTLIER Pre-proline 0 C--N 1.303 -1.437 0 O-C-N 121.481 -0.762 . . . . 0.0 111.893 179.322 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.772 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 2.8 Cg_endo -64.81 -5.52 10.68 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 114.82 -2.987 . . . . 0.0 111.582 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -15.74 58.39 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.861 -1.149 . . . . 0.0 108.359 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.57 21.98 2.71 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 56' ' ' SER . 7.7 mmmt -87.87 -121.58 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.078 -1.248 . . . . 0.0 108.431 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 62' ' ' LYS . . . -128.33 -20.06 3.76 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.842 ' HD3' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -158.6 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.1 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -151.58 84.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-O 122.836 1.303 . . . . 0.0 114.378 -177.183 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -109.09 124.58 51.0 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 119.727 -1.858 . . . . 0.0 108.067 178.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.788 ' HG ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.33 166.2 11.71 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.154 -0.966 . . . . 0.0 110.701 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -143.43 134.96 26.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 121.145 -0.972 . . . . 0.0 111.012 -179.401 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 ' CG2' ' A' ' 50' ' ' ILE . 1.1 tt -136.88 134.79 37.23 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.2 t -109.84 157.11 10.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 C-N-CA 117.583 -1.647 . . . . 0.0 110.834 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 1.2 mm? -84.4 147.68 27.0 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.006 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 31.6 m-70 -47.35 -38.43 12.96 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.24 -153.12 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.376 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.36 52.34 0.65 Allowed Glycine 0 C--N 1.3 -1.449 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 9.0 t0 -128.8 142.22 51.05 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.527 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.733 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.41 158.79 17.2 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.01 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 18.6 m -132.58 104.24 6.57 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -109.77 145.75 36.13 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 120.842 -1.161 . . . . 0.0 109.078 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.078 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.61 142.64 23.99 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.412 1.101 . . . . 0.0 110.36 179.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.672 ' NE2' ' CG ' ' A' ' 62' ' ' LYS . 52.2 t-80 -144.61 166.74 24.33 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.735 -175.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.057 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -147.81 144.16 27.99 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.597 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . 5.7 t -177.66 141.03 0.27 Allowed 'General case' 0 C--O 1.215 -0.715 0 O-C-N 119.539 -1.976 . . . . 0.0 107.796 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' HB2' HG22 ' A' ' 84' ' ' THR . 7.1 m-80 -150.81 -120.48 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.811 -1.181 . . . . 0.0 109.167 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 11.2 mm-40 -107.34 -41.81 5.0 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.5 m -150.39 17.32 0.83 Allowed 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.088 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 84' ' ' THR . 2.4 t -119.24 22.79 11.65 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 120.178 -1.576 . . . . 0.0 107.914 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.708 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . -91.46 17.58 8.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -176.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.587 ' N ' ' NH2' ' A' ' 89' ' ' ARG . 2.3 t -129.37 -66.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 123.187 2.721 . . . . 0.0 112.033 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.623 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -59.65 -64.41 0.95 Allowed 'General case' 0 CA--C 1.556 1.19 0 O-C-N 120.799 -1.188 . . . . 0.0 113.693 -178.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 1.9 mt-10 -35.6 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.237 -0.914 . . . . 0.0 111.211 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.756 ' CD ' HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.85 -21.37 64.28 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 117.841 -1.543 . . . . 0.0 108.433 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -45.07 -55.67 5.41 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -58.89 -54.01 51.92 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 HD22 ' A' ' 10' ' ' LEU . 54.0 t -39.5 -63.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.593 0.711 . . . . 0.0 109.901 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.744 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 3.9 tttm -58.7 -47.93 82.87 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.563 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 26.0 t0 -46.26 -19.7 0.08 Allowed 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.093 HD13 ' CD2' ' A' ' 9' ' ' LEU . 1.3 mt -89.33 -44.27 10.34 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.788 HD11 ' HG ' ' A' ' 65' ' ' LEU . 1.1 mt -37.3 -65.36 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.831 0.824 . . . . 0.0 109.405 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.744 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.2 -1.75 11.15 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.105 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -100.0 -28.61 12.99 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.427 -0.796 . . . . 0.0 109.589 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.695 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -87.25 -31.64 20.16 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.0 -1.063 . . . . 0.0 109.179 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.652 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -40.77 -40.12 2.04 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -178.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 41.5 Cg_exo -65.3 -37.89 29.21 Favored 'Trans proline' 0 C--N 1.299 -2.075 0 O-C-N 124.659 1.873 . . . . 0.0 111.214 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 99' ' ' LEU . 10.8 tttm -50.33 -51.7 43.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.619 0.723 . . . . 0.0 111.607 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CZ ' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -109.95 -0.97 17.96 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.607 -0.683 . . . . 0.0 109.611 -177.036 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' HD3' ' HZ3' ' A' ' 51' ' ' LYS . 3.1 tptt -155.07 105.74 2.56 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.328 -0.857 . . . . 0.0 109.752 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -114.9 141.45 47.92 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 109.247 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -71.65 -166.28 0.2 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.168 -0.958 . . . . 0.0 109.405 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.53 162.13 14.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.268 -0.895 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.442 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.51 137.76 48.67 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.264 -0.897 . . . . 0.0 109.449 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 t -80.18 144.36 33.06 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.327 -0.858 . . . . 0.0 109.413 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.77 -20.47 53.29 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.232 -0.917 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.22 162.0 14.03 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.132 -0.98 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.94 163.65 9.35 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.944 0.878 . . . . 0.0 110.201 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -119.28 114.14 21.94 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.151 HG12 ' CE ' ' A' ' 27' ' ' MET . 2.0 m -98.8 154.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 O-C-N 120.612 -1.305 . . . . 0.0 110.251 -177.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.84 -47.89 5.12 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.003 -177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 95' ' ' LEU . 26.8 tp -158.38 143.07 16.15 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.675 -1.891 . . . . 0.0 110.136 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -127.4 136.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.351 -0.843 . . . . 0.0 110.019 -179.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.854 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -119.26 100.16 9.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-O 122.198 0.999 . . . . 0.0 108.613 177.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.659 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.76 -18.9 9.41 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.02 0.914 . . . . 0.0 110.954 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 9.0 tptt -115.93 120.45 39.23 Favored 'General case' 0 C--N 1.28 -2.45 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.24 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.021 HG21 ' HB2' ' A' ' 24' ' ' LEU . 36.9 t -150.75 148.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.489 -1.285 . . . . 0.0 109.301 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 9.7 tpp180 -123.55 134.66 53.81 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.65 ' HB3' ' CD1' ' A' ' 77' ' ' PHE . 8.5 pt20 -141.58 134.82 29.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 17' ' ' GLN . 11.4 mttp -36.68 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.847 -0.533 . . . . 0.0 111.382 -174.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 ptpm? -80.98 -55.9 4.48 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.514 -1.367 . . . . 0.0 110.472 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.645 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.49 168.67 24.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 110.228 -175.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -106.1 129.98 54.09 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 101.027 -3.694 . . . . 0.0 101.027 175.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.6 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.75 165.9 35.9 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.596 -176.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.59 134.64 34.39 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 123.2 1.476 . . . . 0.0 111.143 -176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.109 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.6 mt -107.93 134.32 51.02 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.7 -175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.774 ' CE1' HD12 ' A' ' 11' ' ' ILE . 7.5 m-85 -116.85 135.18 53.94 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 27' ' ' MET . 1.7 tt -109.77 130.08 55.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.175 -1.578 . . . . 0.0 106.974 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 1.151 ' CE ' HG12 ' A' ' 8' ' ' VAL . 6.0 ttm -116.04 153.8 31.05 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.6 -55.45 1.12 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.824 -0.548 . . . . 0.0 111.165 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.7 tt0 -105.94 7.98 32.34 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.357 -1.464 . . . . 0.0 112.769 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' C ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -159.56 165.31 33.14 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 119.241 -2.162 . . . . 0.0 113.164 -179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.64 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -109.87 123.4 65.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.673 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -110.8 158.81 18.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.165 0.983 . . . . 0.0 111.498 -178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.899 ' CE3' HG21 ' A' ' 42' ' ' THR . 16.9 t90 -134.42 140.53 46.34 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.253 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 40' ' ' ARG . . . -152.76 159.52 32.3 Favored Pre-proline 0 C--N 1.297 -1.679 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.335 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -107.35 -155.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 123.97 1.51 . . . . 0.0 109.119 178.064 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.97 81.58 1.47 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.821 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -160.28 -174.52 30.19 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.84 58.9 0.15 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.115 -1.226 . . . . 0.0 108.96 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' GLY . 4.6 t0 -164.53 135.26 4.15 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 177.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 1.2 mpt_? -117.99 -5.5 10.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 119.087 -2.258 . . . . 0.0 110.274 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 15.8 m-85 -135.14 81.24 1.88 Allowed 'General case' 0 C--N 1.29 -2.006 0 C-N-CA 119.51 -0.876 . . . . 0.0 111.443 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 1.018 HG23 HG23 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -60.22 -35.63 75.86 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 177.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.018 HG23 HG23 ' A' ' 42' ' ' THR . 2.2 pp -150.72 172.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.118 0.961 . . . . 0.0 111.852 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -168.48 113.34 0.62 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.989 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.1 117.16 33.44 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.874 -1.141 . . . . 0.0 109.046 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.9 115.14 5.05 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.617 -0.677 . . . . 0.0 110.136 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.1 m-30 -39.04 -45.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.996 -0.44 . . . . 0.0 110.178 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.13 -37.13 78.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 119.96 -1.713 . . . . 0.0 108.391 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.5 m-20 -66.71 -4.69 9.54 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.571 177.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.873 HD13 ' HB2' ' A' ' 45' ' ' HIS . 6.0 pt -137.87 139.05 43.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.433 -0.792 . . . . 0.0 109.121 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.551 ' HG2' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -144.0 103.64 4.05 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 119.201 -2.187 . . . . 0.0 112.101 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.882 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.01 128.07 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.444 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.636 ' HG2' HD12 ' A' ' 67' ' ' LEU . 1.4 mt-30 -143.57 120.98 11.65 Favored 'General case' 0 C--N 1.285 -2.227 0 C-N-CA 117.646 -1.622 . . . . 0.0 111.314 -177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.9 tttp -132.54 113.08 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.886 HG22 ' HD2' ' A' ' 57' ' ' PRO . 4.6 mm -128.9 102.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.961 -1.087 . . . . 0.0 109.444 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.646 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 2.2 m -119.45 29.2 0.14 Allowed Pre-proline 0 C--N 1.3 -1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 110.877 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' A' ' 55' ' ' ILE . 4.1 Cg_exo -69.23 -4.8 14.39 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 115.269 -2.687 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.29 -12.08 48.08 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.42 18.9 2.84 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 108.988 -1.645 . . . . 0.0 108.988 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 15.3 mmtt -90.6 -121.3 0.06 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.299 -1.118 . . . . 0.0 108.303 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' C ' ' HG2' ' A' ' 62' ' ' LYS . . . -119.67 -24.73 6.13 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HG3' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -167.05 -76.01 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.59 0.709 . . . . 0.0 109.821 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.759 HG21 ' HB2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -162.78 82.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 C-N-CA 118.467 -1.293 . . . . 0.0 113.997 -176.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.522 ' OE1' ' CE ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -114.54 133.74 55.56 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.841 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.29 166.67 13.7 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.605 -1.31 . . . . 0.0 111.062 -178.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.94 129.35 21.25 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.724 0.773 . . . . 0.0 110.545 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 50' ' ' ILE . 1.9 tt -133.28 149.72 51.93 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.984 HG22 HG23 ' A' ' 74' ' ' THR . 1.9 t -125.64 158.74 34.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-O 123.294 1.521 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -93.51 144.16 25.62 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.051 -177.179 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 3.6 p80 -45.22 -30.84 1.29 Allowed 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.07 -148.93 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.6 53.08 0.62 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.598 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 7.3 m-20 -128.99 129.78 45.83 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 119.749 -0.78 . . . . 0.0 108.976 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.984 HG23 HG22 ' A' ' 68' ' ' VAL . 2.0 m -108.05 158.37 17.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -125.5 115.8 20.8 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.393 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.07 130.59 55.51 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.109 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -143.42 152.66 41.82 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.224 -1.39 . . . . 0.0 111.027 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.834 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 56.3 t-80 -150.32 162.97 39.48 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.961 1.363 . . . . 0.0 112.343 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.951 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 27.3 m-85 -132.92 140.44 47.85 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.864 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.3 t -152.03 -18.75 0.18 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 123.528 2.876 . . . . 0.0 113.607 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -43.13 106.63 0.07 Allowed 'General case' 0 C--N 1.309 -1.195 0 O-C-N 120.508 -1.37 . . . . 0.0 109.365 -178.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 81' ' ' ASN . 9.5 pt-20 -38.68 -43.32 0.88 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.584 -0.698 . . . . 0.0 110.401 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -55.06 -37.79 67.19 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 109.646 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.63 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -133.96 36.74 3.26 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.259 -0.901 . . . . 0.0 109.211 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' A' ' 80' ' ' SER . . . -92.53 22.6 4.53 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 87' ' ' LYS . 77.8 t -144.23 -101.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 O-C-N 118.81 -2.431 . . . . 0.0 111.116 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -34.85 -65.56 0.21 Allowed 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.995 -178.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.9 -62.17 0.5 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 122.014 0.912 . . . . 0.0 110.485 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.759 ' HB2' HG21 ' A' ' 63' ' ' ILE . 9.9 mmt180 -60.96 -47.33 86.91 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . 4.8 m-20 -52.34 -16.59 0.89 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.688 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -96.5 -30.93 13.05 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.951 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 4.0 t -66.49 -55.54 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.622 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.8 ttpt -53.21 -51.2 62.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' LYS . 32.3 m-20 -38.55 -69.49 0.12 Allowed 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -41.68 -51.41 4.09 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 121.486 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.621 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -39.71 -65.9 0.35 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.696 0.76 . . . . 0.0 110.182 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.622 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -67.52 -2.53 6.68 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.379 -0.826 . . . . 0.0 110.055 -179.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.01 -35.17 11.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.175 -0.953 . . . . 0.0 109.577 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -90.07 -29.47 18.34 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 121.003 -1.061 . . . . 0.0 108.395 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.635 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -43.15 -41.64 7.21 Favored Pre-proline 0 C--N 1.306 -1.311 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -62.1 -36.35 70.59 Favored 'Trans proline' 0 C--N 1.299 -2.031 0 O-C-N 124.601 1.843 . . . . 0.0 110.5 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -49.94 -43.31 49.82 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.711 -0.618 . . . . 0.0 111.464 -179.51 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -107.78 -0.47 21.65 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.053 -1.029 . . . . 0.0 110.165 -177.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.551 ' CE ' ' HG2' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -95.56 18.93 11.82 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.104 -0.997 . . . . 0.0 109.053 178.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.34 -81.42 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.842 -0.536 . . . . 0.0 109.649 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.06 157.91 33.42 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.286 -0.884 . . . . 0.0 109.544 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.85 179.6 7.52 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.305 -1.356 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.433 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.0 0.27 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.271 -0.893 . . . . 0.0 109.351 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.38 13.25 2.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.268 -0.895 . . . . 0.0 109.625 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -98.56 -148.68 0.34 Allowed 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.09 -1.006 . . . . 0.0 109.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -111.38 -147.8 0.42 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.314 -0.866 . . . . 0.0 109.601 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.697 ' HB2' ' HE3' ' A' ' 27' ' ' MET . 0.6 OUTLIER -60.94 159.09 11.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.228 -0.92 . . . . 0.0 109.939 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.46 112.22 19.11 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -98.93 155.13 3.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.664 -1.273 . . . . 0.0 109.914 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 26' ' ' LEU . 31.1 tp -98.68 -48.08 5.09 Favored 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 119.94 -0.704 . . . . 0.0 112.338 -176.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -159.33 142.22 14.18 Favored 'General case' 0 C--N 1.311 -1.077 0 O-C-N 119.5 -2.0 . . . . 0.0 110.828 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.761 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -118.84 133.35 65.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 O-C-N 121.486 -0.759 . . . . 0.0 110.117 -179.276 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.903 HG11 HG21 ' A' ' 92' ' ' VAL . 5.9 m -115.69 96.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.662 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.83 -19.25 16.35 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.943 0.877 . . . . 0.0 110.547 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.16 117.95 30.98 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.499 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 24' ' ' LEU . 17.7 t -150.88 148.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.749 174.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HB3' ' HD1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.31 141.99 50.39 Favored 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.665 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.6 pt20 -146.11 132.14 19.27 Favored 'General case' 0 C--N 1.275 -2.665 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.71 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.818 -0.551 . . . . 0.0 111.395 -174.04 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.89 -55.56 4.88 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.464 -1.398 . . . . 0.0 110.291 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.665 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 38.5 tt0 -151.85 168.48 24.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.655 -0.653 . . . . 0.0 110.033 -174.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 3.0 m-20 -106.1 129.43 54.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 101.701 -3.444 . . . . 0.0 101.701 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.02 165.96 36.09 Favored Glycine 0 C--N 1.299 -1.505 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.327 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.77 134.62 34.31 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 123.227 1.489 . . . . 0.0 111.084 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.052 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.4 mt -107.74 135.64 48.83 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 113.264 -1.789 . . . . 0.0 110.17 -175.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 8.6 m-85 -117.08 133.55 55.86 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.919 HD23 ' N ' ' A' ' 27' ' ' MET . 4.9 tt -109.97 131.09 55.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.01 -1.681 . . . . 0.0 107.699 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.919 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.8 ttt -117.93 152.36 35.6 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' MET . . . -37.39 -55.98 1.01 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.825 -0.547 . . . . 0.0 111.504 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 tt0 -103.83 5.81 36.17 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 120.21 -1.556 . . . . 0.0 112.243 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -159.9 165.83 31.39 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 119.309 -2.12 . . . . 0.0 113.128 -179.232 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 47' ' ' TYR . 1.4 mm -108.94 137.71 39.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.632 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -125.05 150.97 46.24 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.986 -1.071 . . . . 0.0 111.328 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.853 ' N ' HG22 ' A' ' 43' ' ' ILE . 17.1 t90 -124.78 143.25 50.9 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.468 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.54 125.95 4.54 Favored Pre-proline 0 C--N 1.295 -1.798 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.749 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 2.9 Cg_endo -73.52 -173.19 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 123.847 1.446 . . . . 0.0 109.977 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.46 37.47 3.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.895 . . . . 0.0 109.539 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.04 -47.16 0.01 OUTLIER Glycine 0 C--N 1.306 -1.134 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -147.58 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.208 -1.172 . . . . 0.0 109.539 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -84.19 115.63 22.52 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.236 -0.915 . . . . 0.0 109.064 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -19.88 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.269 0.557 . . . . 0.0 112.019 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -47.72 120.29 3.28 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.183 -0.948 . . . . 0.0 110.325 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -124.97 -14.14 6.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.827 -178.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.861 HD13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -152.27 157.02 5.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 C-N-CA 118.944 -1.102 . . . . 0.0 111.88 -179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 49.8 p -164.0 102.16 0.88 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.861 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.72 115.67 30.29 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 121.102 -0.999 . . . . 0.0 109.105 179.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.557 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -65.47 116.89 7.23 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.447 -0.783 . . . . 0.0 110.277 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.92 ' HD1' HD11 ' A' ' 50' ' ' ILE . 4.1 m-30 -39.47 -46.25 1.66 Allowed 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.892 -0.505 . . . . 0.0 109.876 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.541 ' O ' ' NE2' ' A' ' 70' ' ' HIS . . . -69.11 -37.3 78.3 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 120.09 -1.631 . . . . 0.0 108.461 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' MET . 23.6 m-20 -68.59 -5.01 17.46 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.508 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.92 HD11 ' HD1' ' A' ' 47' ' ' TYR . 8.0 pt -135.76 133.35 51.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.477 -0.764 . . . . 0.0 109.2 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HD3' ' CD ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -148.1 104.07 3.52 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 119.261 -2.15 . . . . 0.0 113.531 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.672 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 4.8 t 173.26 133.92 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' A' ' 100' ' ' LEU . 6.2 mt-30 -143.55 121.61 12.13 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.038 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 113.4 14.22 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.757 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.0 pp -131.77 104.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.913 -1.117 . . . . 0.0 109.91 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.656 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -118.26 30.33 0.15 Allowed Pre-proline 0 C--N 1.302 -1.489 0 O-C-N 121.244 -0.91 . . . . 0.0 110.935 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 56' ' ' SER . 5.5 Cg_exo -68.29 -8.25 22.39 Favored 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 115.746 -2.369 . . . . 0.0 109.779 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 40.4 tp10 -62.82 -14.67 48.34 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.8 26.13 5.17 Favored Glycine 0 C--O 1.215 -1.09 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 11.8 mmmt -105.09 -114.26 0.24 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -156.85 -7.26 0.1 Allowed 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.672 ' HD3' ' CD2' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -153.14 -105.84 0.05 OUTLIER 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -163.94 84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 O-C-N 120.902 -1.124 . . . . 0.0 113.019 -177.431 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 11.3 pt20 -109.0 130.42 55.48 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.862 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -120.77 171.28 8.72 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 120.608 -1.308 . . . . 0.0 112.113 -177.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' OD1' ' A' ' 76' ' ' ASN . 0.3 OUTLIER -138.43 131.72 30.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.583 0.706 . . . . 0.0 110.262 -179.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.58 HD22 HD12 ' A' ' 50' ' ' ILE . 6.3 tt -133.54 145.41 50.1 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.019 HG22 HG23 ' A' ' 74' ' ' THR . 2.5 t -122.61 158.34 26.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.486 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.871 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -92.5 146.17 23.88 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.588 -176.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 48' ' ' ALA . 52.9 m-70 -45.36 -32.01 1.89 Allowed 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -76.26 -151.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.229 -1.351 . . . . 0.0 107.805 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.14 52.92 0.61 Allowed Glycine 0 C--N 1.296 -1.643 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.615 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 m-20 -128.82 134.81 48.47 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.235 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.019 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.48 160.1 15.91 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.228 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.661 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.7 m -133.59 107.34 7.93 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 66' ' ' GLN . 14.7 m-20 -108.83 138.14 45.63 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 120.924 -1.11 . . . . 0.0 108.244 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.052 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.27 150.82 36.52 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.984 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.672 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t-80 -144.15 156.03 44.17 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 122.631 1.205 . . . . 0.0 112.498 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.098 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -144.72 138.74 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.679 ' C ' ' HB2' ' A' ' 85' ' ' ALA . 17.7 t -176.13 42.36 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 O-C-N 119.29 -2.131 . . . . 0.0 109.473 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.603 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -38.91 155.4 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.638 -0.664 . . . . 0.0 110.682 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ASN . 10.2 tp10 -46.22 -49.55 16.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.35 -0.844 . . . . 0.0 108.875 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m -120.1 -0.07 10.61 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.234 -0.916 . . . . 0.0 110.735 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 84' ' ' THR . 1.1 m -112.04 29.38 7.93 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 120.364 -1.46 . . . . 0.0 107.951 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.679 ' HB2' ' C ' ' A' ' 80' ' ' SER . . . -92.1 59.1 3.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.779 -1.2 . . . . 0.0 110.183 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.906 HG22 ' OE2' ' A' ' 88' ' ' GLU . 10.7 m -153.01 -138.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.229 -1.544 . . . . 0.0 112.603 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.649 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -34.58 -41.19 0.12 Allowed 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.842 -0.536 . . . . 0.0 111.537 -178.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.906 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -48.06 -72.37 0.05 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.742 -1.224 . . . . 0.0 108.574 179.179 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.677 ' C ' HD13 ' A' ' 63' ' ' ILE . 11.6 mmt180 -62.98 -53.47 53.41 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' N ' HD13 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -35.73 -50.07 0.62 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -60.83 -53.0 62.64 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.098 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 16.6 t -38.6 -61.07 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.695 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 26.7 ttpp -58.09 -51.52 69.38 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.627 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 7.9 t0 -43.33 -23.2 0.05 Allowed 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.772 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.65 -44.35 10.67 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.105 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.651 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.0 mt -39.94 -62.03 0.78 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.271 0.557 . . . . 0.0 109.892 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.695 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -70.14 -2.01 11.77 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.628 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.28 -36.89 12.96 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.85 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -91.0 -29.25 17.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.654 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 tp -43.11 -45.88 13.42 Favored Pre-proline 0 C--N 1.305 -1.365 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 32.3 Cg_exo -55.37 -34.43 88.86 Favored 'Trans proline' 0 C--N 1.298 -2.12 0 O-C-N 124.359 1.716 . . . . 0.0 110.682 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -54.22 -42.55 69.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.758 -0.589 . . . . 0.0 112.18 -178.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.715 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -107.32 -4.3 18.78 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.809 -1.182 . . . . 0.0 110.311 -177.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' CG ' ' CD1' ' A' ' 100' ' ' LEU . 10.9 mmmm -83.04 -166.15 1.26 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.182 -0.948 . . . . 0.0 108.914 179.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.514 ' NH1' ' HG2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -48.6 -95.59 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.173 -0.955 . . . . 0.0 109.577 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.99 -169.02 1.39 Allowed 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.003 -1.061 . . . . 0.0 109.486 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -125.54 -179.36 4.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.269 -0.894 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 38.8 t30 . . . . . 0 C--N 1.305 -1.328 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.384 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.73 71.6 0.82 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.259 -0.901 . . . . 0.0 109.383 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -91.03 -65.99 0.97 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.232 -0.917 . . . . 0.0 109.552 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 5' ' ' SER . 21.8 t -99.76 -168.07 1.55 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.261 -0.899 . . . . 0.0 109.485 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' OG ' ' A' ' 4' ' ' SER . 1.4 m -88.75 -154.04 0.28 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 2.4 mp0 -67.97 162.33 24.61 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.312 -0.867 . . . . 0.0 109.809 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -119.81 113.44 20.61 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.274 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.657 HG12 ' HE2' ' A' ' 27' ' ' MET . 0.8 OUTLIER -98.63 154.69 3.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 O-C-N 120.273 -1.517 . . . . 0.0 109.9 -176.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.004 HD21 ' HG ' ' A' ' 95' ' ' LEU . 8.4 tp -99.0 -50.27 4.23 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.495 -177.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.44 168.21 27.58 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 119.653 -1.905 . . . . 0.0 110.93 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -134.33 136.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.88 96.81 4.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 CA-C-O 122.275 1.036 . . . . 0.0 109.481 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.723 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.24 -18.93 18.37 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.459 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.3 tptm -114.71 115.3 26.85 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 119.849 -0.741 . . . . 0.0 110.233 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.007 HG21 ' HB2' ' A' ' 24' ' ' LEU . 19.2 t -150.26 146.86 16.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 118.223 -1.391 . . . . 0.0 109.548 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.598 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -121.75 131.16 53.92 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.8 pt20 -136.19 132.69 36.26 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.5 mttp -36.35 -24.1 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.917 -0.489 . . . . 0.0 111.244 -173.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.6 ptpt -79.67 -53.51 6.76 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.451 -1.406 . . . . 0.0 109.724 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.56 24.54 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.595 0.712 . . . . 0.0 110.738 -174.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 m-20 -106.18 130.33 54.08 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 100.507 -3.886 . . . . 0.0 100.507 175.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.626 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.23 36.2 Favored Glycine 0 C--N 1.296 -1.671 0 N-CA-C 110.141 -1.183 . . . . 0.0 110.141 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.94 133.39 34.28 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 123.101 1.429 . . . . 0.0 110.634 -178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.007 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.1 mt -108.12 132.09 53.95 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.726 -175.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.643 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.6 m-85 -111.7 136.74 50.53 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 HD11 ' A' ' 31' ' ' ILE . 16.7 tp -122.78 139.68 53.73 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.784 -1.823 . . . . 0.0 108.666 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.736 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 4.2 ttm -135.9 149.49 48.99 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -37.68 -58.53 0.88 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.594 -0.691 . . . . 0.0 111.492 -177.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 9.7 tt0 -86.79 -7.01 58.64 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -173.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HD2' ' HB3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -160.92 165.61 29.74 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 119.159 -2.213 . . . . 0.0 112.464 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 26' ' ' LEU . 1.2 mm -112.02 134.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.584 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -120.42 149.5 42.27 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.998 -1.064 . . . . 0.0 111.242 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.802 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 18.1 t90 -126.5 143.25 51.26 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 122.17 0.985 . . . . 0.0 111.147 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' ARG . . . -151.81 108.13 2.88 Favored Pre-proline 0 C--N 1.294 -1.807 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.018 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.5 Cg_endo -55.43 130.19 39.21 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.899 1.473 . . . . 0.0 109.613 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 68.86 0.07 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.287 -0.883 . . . . 0.0 108.914 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' PRO . . . -144.31 -47.54 0.04 OUTLIER Glycine 0 C--N 1.306 -1.133 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.239 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.5 mtpt -158.34 -88.92 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.174 0 O-C-N 120.846 -1.385 . . . . 0.0 111.106 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 41' ' ' PHE . 73.2 m-20 -42.99 85.39 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.158 0 O-C-N 121.563 -0.71 . . . . 0.0 112.531 -177.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.0 mtm180 -34.18 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.109 0 O-C-N 121.794 -0.567 . . . . 0.0 112.431 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 39' ' ' ASP . 24.7 m-85 -129.96 136.2 49.18 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.386 -0.821 . . . . 0.0 110.874 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.723 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -135.26 -19.2 1.71 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.549 -0.719 . . . . 0.0 110.805 -179.211 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.849 HD13 ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -150.81 160.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 118.537 -1.265 . . . . 0.0 112.338 -178.077 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.4 t -167.27 101.66 0.52 Allowed 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.176 177.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.849 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -110.08 119.59 39.77 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.07 -1.019 . . . . 0.0 108.795 179.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -69.65 118.69 12.83 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.583 0.706 . . . . 0.0 110.402 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.79 ' HE2' HD13 ' A' ' 99' ' ' LEU . 6.7 m-30 -41.12 -45.34 2.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.072 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.06 -34.43 75.15 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 119.889 -1.757 . . . . 0.0 108.431 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' MET . 1.1 m-20 -67.95 -3.91 11.43 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.714 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.87 HG22 HD13 ' A' ' 69' ' ' LEU . 31.4 pt -138.13 134.78 44.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HE3' ' CB ' ' A' ' 104' ' ' LYS . 12.2 tptp -136.38 102.84 5.09 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 116.24 -2.184 . . . . 0.0 112.374 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.9 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.17 136.47 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.059 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.659 ' CG ' HD13 ' A' ' 100' ' ' LEU . 19.4 mp0 -143.23 121.02 11.91 Favored 'General case' 0 C--N 1.287 -2.129 0 C-N-CA 117.032 -1.867 . . . . 0.0 111.518 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -124.93 112.96 17.22 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.272 -1.331 . . . . 0.0 107.968 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.555 ' CG2' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -150.17 101.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 120.774 -1.204 . . . . 0.0 110.017 179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.677 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 17.4 t -120.08 24.34 0.11 Allowed Pre-proline 0 C--N 1.3 -1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.559 178.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.745 ' HB3' ' HA ' ' A' ' 63' ' ' ILE . 2.0 Cg_endo -62.6 -6.96 9.77 Favored 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 115.836 -2.309 . . . . 0.0 111.879 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PRO . 7.0 pt-20 -49.72 -33.53 16.31 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.873 -1.142 . . . . 0.0 108.047 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.47 35.01 1.77 Allowed Glycine 0 CA--C 1.539 1.579 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -88.92 -112.16 0.07 Allowed 'General case' 0 C--N 1.313 -1.007 0 O-C-N 120.556 -1.555 . . . . 0.0 110.92 -178.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' C ' ' HG2' ' A' ' 62' ' ' LYS . . . -124.09 -44.69 2.03 Favored 'General case' 0 C--N 1.311 -1.076 0 O-C-N 120.971 -1.081 . . . . 0.0 109.637 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 1.025 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -167.21 32.36 0.03 OUTLIER 'General case' 0 C--O 1.19 -2.043 0 C-N-CA 118.55 -1.26 . . . . 0.0 112.254 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.025 HG23 ' O ' ' A' ' 62' ' ' LYS 0.293 0.0 OUTLIER 93.26 80.16 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-O 123.917 1.818 . . . . 0.0 113.441 177.936 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -119.39 137.05 54.0 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 120.935 -1.103 . . . . 0.0 109.274 179.149 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.852 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -132.18 163.44 28.54 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 120.701 -1.249 . . . . 0.0 110.574 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 54' ' ' LYS . 1.2 mt-30 -147.15 138.85 24.2 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.885 0.85 . . . . 0.0 110.437 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD22 HD12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -141.57 149.09 40.31 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.065 HG22 HG23 ' A' ' 74' ' ' THR . 2.1 t -124.67 157.32 32.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 117.949 -1.5 . . . . 0.0 110.107 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -89.91 144.1 26.22 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.8 -176.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.9 p80 -45.43 -31.99 1.94 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.24 -154.45 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.039 -1.437 . . . . 0.0 107.714 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.7 52.78 0.62 Allowed Glycine 0 C--N 1.296 -1.645 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.634 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 50.5 m-20 -129.71 133.28 46.96 Favored 'General case' 0 C--N 1.286 -2.178 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.605 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.065 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -107.07 162.89 13.45 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 43.0 m -137.98 104.38 5.23 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.8 m-20 -109.28 145.33 36.13 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.96 -1.087 . . . . 0.0 108.174 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.998 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.19 147.7 28.74 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 118.153 -1.419 . . . . 0.0 111.221 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.673 ' O ' HG13 ' A' ' 15' ' ' VAL . 63.4 t-80 -138.45 163.22 32.49 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 122.137 0.97 . . . . 0.0 110.315 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.962 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -144.97 140.07 27.96 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.703 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -177.08 153.91 1.02 Allowed 'General case' 0 C--N 1.314 -0.963 0 O-C-N 119.173 -2.204 . . . . 0.0 107.947 176.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.607 ' HB2' HG22 ' A' ' 84' ' ' THR . 0.3 OUTLIER -150.58 175.91 11.48 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.224 -0.923 . . . . 0.0 108.733 178.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' ASN . 10.9 pt-20 -50.0 -37.27 31.92 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.47 16.29 0.8 Allowed 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.802 -0.561 . . . . 0.0 110.183 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 81' ' ' ASN . 0.5 OUTLIER -107.67 16.45 23.67 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 120.386 -1.446 . . . . 0.0 109.78 -179.484 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 80' ' ' SER . . . -91.75 69.68 5.63 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 120.415 -1.428 . . . . 0.0 107.82 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 87' ' ' LYS . 16.9 m -152.87 -136.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 O-C-N 121.429 -0.794 . . . . 0.0 111.057 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 86' ' ' VAL . 7.8 mttp -34.79 -49.49 0.43 Allowed 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.63 -0.669 . . . . 0.0 112.131 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 84' ' ' THR . 1.2 pm0 -48.27 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.478 -1.389 . . . . 0.0 110.122 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.654 ' CB ' HG13 ' A' ' 63' ' ' ILE . 6.7 mmt180 -61.22 -46.56 89.94 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 122.283 1.04 . . . . 0.0 108.254 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 13.6 t0 -55.79 -12.47 1.32 Allowed 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.573 ' O ' HD23 ' A' ' 95' ' ' LEU . . . -95.03 -37.23 11.21 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 120.999 -1.063 . . . . 0.0 109.666 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.55 ' CG2' ' HA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -70.67 -41.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.711 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -68.45 -43.98 75.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.663 ' C ' HE22 ' A' ' 97' ' ' GLN . 8.4 t70 -58.05 -20.63 40.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.004 ' HG ' HD21 ' A' ' 9' ' ' LEU . 3.7 mm? -92.76 -44.38 8.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.051 -1.03 . . . . 0.0 108.687 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.3 mt -37.16 -68.64 0.14 Allowed 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.416 -0.803 . . . . 0.0 110.643 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.711 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -57.76 -0.65 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.463 -0.773 . . . . 0.0 112.005 179.446 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -93.53 -37.6 11.83 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.79 HD13 ' HE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -82.47 -29.82 30.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.103 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' HD2' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -42.89 -40.28 4.76 Favored Pre-proline 0 C--N 1.303 -1.456 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.27 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 100' ' ' LEU . 36.8 Cg_exo -69.93 2.16 3.88 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 O-C-N 124.621 1.853 . . . . 0.0 112.314 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -93.4 -43.87 8.54 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.905 -1.122 . . . . 0.0 112.177 -177.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.82 -3.7 48.48 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.189 -0.944 . . . . 0.0 110.284 -176.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.689 ' HD2' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -160.92 124.2 3.32 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.197 -0.939 . . . . 0.0 109.244 177.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -76.77 0.19 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.924 -1.11 . . . . 0.0 109.521 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -58.69 171.26 0.66 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.212 -0.93 . . . . 0.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.72 155.02 17.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.24 -0.912 . . . . 0.0 109.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 C--N 1.305 -1.369 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.392 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.72 -54.86 2.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.263 -0.898 . . . . 0.0 109.481 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 4' ' ' SER . 31.1 m -79.81 -88.62 0.06 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.226 -0.921 . . . . 0.0 109.501 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 3' ' ' THR . 1.7 m -145.31 175.4 10.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.213 -0.93 . . . . 0.0 109.417 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -165.7 1.13 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.26 -0.9 . . . . 0.0 109.406 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 6' ' ' GLU . 15.0 mp0 -117.06 163.07 16.8 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -118.28 162.64 17.93 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG12 ' SD ' ' A' ' 27' ' ' MET . 4.0 m -98.2 155.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 119.853 -1.779 . . . . 0.0 110.47 -176.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -98.51 -45.61 6.05 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.59 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.96 HD22 HD12 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -159.66 142.85 14.18 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 119.413 -2.055 . . . . 0.0 110.284 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.695 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.34 139.16 36.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.071 -1.018 . . . . 0.0 109.68 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -111.12 106.93 21.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.45 -19.11 13.63 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.401 1.096 . . . . 0.0 109.938 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -116.45 123.3 47.16 Favored 'General case' 0 C--N 1.279 -2.478 0 C-N-CA 119.636 -0.825 . . . . 0.0 109.977 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.895 HG21 ' HB2' ' A' ' 24' ' ' LEU . 2.5 t -151.27 148.91 14.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.153 -1.019 . . . . 0.0 108.559 174.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.7 ttm180 -120.9 146.22 46.84 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.669 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 2.8 pt20 -150.03 130.71 14.05 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -37.02 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.703 -0.623 . . . . 0.0 111.296 -174.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 17' ' ' GLN . 14.1 ptpt -78.33 -53.87 6.82 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.573 -1.329 . . . . 0.0 110.247 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.669 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.84 168.3 25.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.586 -0.696 . . . . 0.0 110.002 -175.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 8.8 m-20 -106.16 127.66 53.36 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 101.257 -3.608 . . . . 0.0 101.257 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.53 165.63 35.65 Favored Glycine 0 C--N 1.3 -1.431 0 C-N-CA 119.331 -1.414 . . . . 0.0 112.177 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.06 128.58 34.65 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 123.417 1.58 . . . . 0.0 111.893 -175.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.1 mt -107.26 138.77 42.83 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 113.154 -1.839 . . . . 0.0 108.547 -175.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.651 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 5.3 m-85 -118.22 138.24 52.47 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.692 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 31' ' ' ILE . 10.4 tt -114.38 131.56 56.53 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.523 ' HE2' ' CD ' ' A' ' 30' ' ' ARG . 1.4 ttp -121.46 151.59 40.07 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.89 -47.88 0.72 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 122.048 -0.407 . . . . 0.0 110.912 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.4 tt0 -109.71 -1.45 18.01 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 120.497 -1.377 . . . . 0.0 112.453 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' CB ' ' HA ' ' A' ' 46' ' ' MET . 0.2 OUTLIER -157.71 165.08 36.36 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 119.024 -2.298 . . . . 0.0 113.621 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.657 HD13 ' HA ' ' A' ' 26' ' ' LEU . 2.3 mm -108.39 141.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.736 ' O ' HD23 ' A' ' 24' ' ' LEU . . . -130.66 154.03 48.33 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.946 -1.096 . . . . 0.0 111.319 -178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.839 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 14.2 t90 -123.08 139.19 54.32 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.94 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.571 ' HB1' ' CA ' ' A' ' 40' ' ' ARG . . . -152.06 155.78 33.64 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.642 -0.662 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -110.57 141.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 O-C-N 123.775 1.408 . . . . 0.0 109.575 178.325 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 87.59 0.08 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.147 -0.971 . . . . 0.0 110.296 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.56 -149.94 5.73 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -91.89 34.94 0.98 Allowed 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.118 -1.225 . . . . 0.0 108.474 179.035 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 38' ' ' LYS . 51.2 m-20 -163.37 120.88 1.87 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.571 ' CA ' ' HB1' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -109.72 -88.73 0.49 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 119.68 -1.887 . . . . 0.0 110.181 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' ARG . 18.1 m-85 -39.85 94.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 122.298 1.047 . . . . 0.0 110.661 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.652 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -106.06 -10.36 16.58 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HB ' ' HB3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -153.62 155.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.356 179.149 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 2.3 m -162.41 103.54 1.09 Allowed 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.729 -0.789 . . . . 0.0 109.614 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.862 ' HB2' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -109.59 113.6 26.51 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.161 -0.962 . . . . 0.0 108.942 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.597 ' HA ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -66.75 108.34 2.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.523 -0.735 . . . . 0.0 110.258 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.051 ' CE2' HD13 ' A' ' 99' ' ' LEU . 2.7 m-30 -31.48 -45.0 0.08 Allowed 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.417 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -69.09 -43.78 73.81 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 120.18 -1.575 . . . . 0.0 109.651 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' MET . 78.6 m-20 -67.49 -5.6 15.77 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.326 0.584 . . . . 0.0 109.456 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.9 HD11 ' HD1' ' A' ' 47' ' ' TYR . 13.6 pt -127.61 132.91 68.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' CE ' ' HG2' ' A' ' 104' ' ' LYS . 9.9 tptp -147.14 103.75 3.62 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 119.359 -2.088 . . . . 0.0 112.13 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.874 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 173.13 120.77 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 176.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.844 ' HG2' HD11 ' A' ' 100' ' ' LEU . 9.7 mp0 -142.33 120.97 12.57 Favored 'General case' 0 C--N 1.279 -2.463 0 C-N-CA 117.139 -1.824 . . . . 0.0 111.708 -175.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 56' ' ' SER . 0.6 OUTLIER -121.81 124.89 45.25 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.849 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.452 HG23 ' HD2' ' A' ' 93' ' ' LYS . 16.4 mm -109.57 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 120.849 -1.157 . . . . 0.0 109.101 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.652 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 39.2 t -118.39 10.51 0.07 OUTLIER Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.398 -0.814 . . . . 0.0 113.168 -179.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.689 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 2.8 Cg_endo -83.12 18.26 1.52 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 C-N-CA 114.807 -2.995 . . . . 0.0 111.338 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -70.21 -27.33 64.4 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.86 44.51 1.03 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 56' ' ' SER . 6.2 mmtt -104.6 -131.3 0.29 Allowed 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.251 -1.147 . . . . 0.0 108.802 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -104.83 -23.85 12.97 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.548 -1.345 . . . . 0.0 107.638 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.668 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -171.74 -70.67 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 122.335 1.064 . . . . 0.0 109.435 177.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.3 OUTLIER -164.36 83.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.285 -2.231 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -176.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -111.08 127.03 55.42 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.722 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -113.0 165.57 12.23 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.548 -1.345 . . . . 0.0 111.527 -178.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -131.37 129.82 41.85 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.722 0.772 . . . . 0.0 110.426 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 4.8 tt -135.11 137.44 42.82 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.927 HG22 HG23 ' A' ' 74' ' ' THR . 1.8 t -116.19 158.55 16.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-O 122.937 1.351 . . . . 0.0 109.812 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.893 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -91.9 148.34 22.29 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.882 -176.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 8.6 m-70 -44.29 -31.56 1.06 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -80.15 -143.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.84 53.77 0.63 Allowed Glycine 0 C--N 1.3 -1.443 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.583 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.9 m-20 -127.97 135.9 50.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.831 -0.805 . . . . 0.0 109.045 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.927 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.69 151.45 26.16 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.869 0.842 . . . . 0.0 110.046 -178.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.594 HG21 ' CE1' ' A' ' 45' ' ' HIS . 11.7 m -122.7 110.91 16.09 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.95 131.96 54.59 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.75 -1.219 . . . . 0.0 109.176 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.102 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -138.26 160.84 38.43 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.922 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.698 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 57.7 t-80 -143.34 169.69 17.19 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.856 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.731 ' HE2' HG21 ' A' ' 12' ' ' VAL . 65.5 m-85 -135.41 150.26 49.83 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.246 -0.909 . . . . 0.0 108.802 178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.53 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 10.8 t -176.65 130.99 0.2 Allowed 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 118.368 -1.333 . . . . 0.0 112.116 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.737 ' H ' ' HB2' ' A' ' 85' ' ' ALA . 1.2 m-80 -150.54 153.97 36.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.592 -0.692 . . . . 0.0 109.413 178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -48.13 -27.31 2.28 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 108.823 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.37 7.46 0.59 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.087 -1.045 . . . . 0.0 112.32 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.686 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -120.92 33.28 5.62 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 119.887 -1.758 . . . . 0.0 107.805 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' A' ' 81' ' ' ASN . . . -92.64 22.41 4.75 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.196 -0.94 . . . . 0.0 112.323 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 87' ' ' LYS . 33.0 m -134.33 -125.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 O-C-N 119.661 -1.9 . . . . 0.0 112.34 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.517 ' N ' HG23 ' A' ' 86' ' ' VAL . 4.9 mttm -33.98 -48.29 0.3 Allowed 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.384 -0.822 . . . . 0.0 110.725 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -46.68 -68.03 0.23 Allowed 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 122.588 1.185 . . . . 0.0 109.428 178.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.645 ' HB2' HG21 ' A' ' 63' ' ' ILE . 2.1 mmt180 -59.47 -58.76 7.18 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -36.92 -37.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.764 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -67.7 -54.34 20.26 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 12' ' ' VAL . 7.1 t -41.39 -52.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 C-N-CA 119.708 -0.797 . . . . 0.0 108.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -53.38 -56.96 12.48 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 178.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.632 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 22.9 t70 -37.88 -62.87 0.51 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.96 HD12 HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -44.88 -52.93 8.12 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 9.4 mt -39.86 -65.4 0.4 Allowed 'General case' 0 C--N 1.315 -0.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.491 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.646 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.61 -3.35 14.6 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.008 -1.077 . . . . 0.0 110.033 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -86.59 -31.59 21.09 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -91.85 -25.53 18.92 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 53' ' ' GLN . 14.1 mt -43.46 -31.09 0.52 Allowed Pre-proline 0 C--N 1.304 -1.371 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 51.0 Cg_exo -70.37 -35.75 10.32 Favored 'Trans proline' 0 C--N 1.301 -1.968 0 O-C-N 124.439 1.757 . . . . 0.0 111.766 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 99' ' ' LEU . 16.8 mttt -56.41 -33.86 66.19 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.961 -1.087 . . . . 0.0 111.844 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -112.58 -5.55 14.0 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.528 -1.269 . . . . 0.0 110.223 -177.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.511 ' HG2' ' CE ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -154.28 106.95 2.82 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.163 -0.961 . . . . 0.0 109.591 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -143.51 -62.89 0.4 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.334 -0.854 . . . . 0.0 109.141 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 135.16 56.37 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.284 -0.885 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.52 -57.0 1.29 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.305 -1.336 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.438 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.87 120.49 16.53 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.287 -0.883 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.05 -46.88 6.63 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.247 -0.908 . . . . 0.0 109.309 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -71.16 -10.42 59.73 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.246 -0.909 . . . . 0.0 109.337 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.85 -76.46 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.256 -0.902 . . . . 0.0 109.418 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' OE2' ' SD ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -65.6 162.22 18.73 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.274 -0.891 . . . . 0.0 109.778 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -119.86 111.99 18.66 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.87 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.7 OUTLIER -98.75 154.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 120.372 -1.455 . . . . 0.0 109.174 -177.569 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' CD2' HD23 ' A' ' 95' ' ' LEU . 57.2 tp -98.88 -42.6 7.08 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.586 -0.846 . . . . 0.0 112.495 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 11' ' ' ILE . 7.1 tt -170.61 160.29 7.11 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 119.383 -2.073 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.725 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.19 143.01 30.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.804 0.811 . . . . 0.0 109.943 179.278 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.818 HG13 ' NH1' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -125.65 126.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.027 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -70.11 -82.63 0.04 OUTLIER 'General case' 0 C--O 1.188 -2.177 0 C-N-CA 117.267 -1.773 . . . . 0.0 109.352 -178.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HG2' ' ND2' ' A' ' 81' ' ' ASN . 38.9 tptt -49.18 124.42 8.95 Favored 'General case' 0 C--N 1.273 -2.755 0 O-C-N 119.674 -1.891 . . . . 0.0 112.278 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.076 HG21 ' HB2' ' A' ' 24' ' ' LEU . 38.8 t -150.8 150.78 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.127 172.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 4.9 tpp180 -126.4 125.36 42.06 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.884 0.85 . . . . 0.0 109.863 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.632 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.6 pt20 -129.42 133.84 47.54 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.21 -23.33 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.872 -0.517 . . . . 0.0 111.344 -173.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.637 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -77.28 -55.7 5.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.504 -1.372 . . . . 0.0 109.796 177.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG3' ' N ' ' A' ' 21' ' ' ASP . 1.4 tp-100 -151.64 168.61 24.44 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.345 -172.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -105.29 130.31 53.44 Favored 'General case' 0 C--N 1.295 -1.778 1 N-CA-C 99.176 -4.379 . . . . 0.0 99.176 175.769 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.96 166.21 36.16 Favored Glycine 0 C--N 1.293 -1.828 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.027 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.29 139.12 31.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 122.983 1.373 . . . . 0.0 111.777 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.076 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.6 mt -108.91 130.92 55.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.82 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.672 ' CE2' HG13 ' A' ' 11' ' ' ILE . 6.3 m-85 -112.58 139.54 48.08 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -123.57 138.96 54.45 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 119.832 -1.792 . . . . 0.0 108.592 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.87 ' SD ' HG12 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -128.99 149.23 50.91 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.054 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -40.98 -58.49 1.71 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.326 -0.859 . . . . 0.0 110.047 -178.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 1.2 tp10 -87.12 -6.21 58.74 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 113.11 -175.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.653 ' NH1' ' HE3' ' A' ' 27' ' ' MET . 0.3 OUTLIER -158.65 164.36 36.05 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 119.166 -2.209 . . . . 0.0 112.905 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.723 HD11 HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -110.74 131.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -118.83 150.99 38.9 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 121.075 -1.016 . . . . 0.0 110.999 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.882 ' N ' HG22 ' A' ' 43' ' ' ILE . 22.6 t90 -129.94 142.33 50.66 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.842 0.829 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HA ' ' HB ' ' A' ' 42' ' ' THR . . . -151.44 114.29 3.05 Favored Pre-proline 0 C--N 1.294 -1.814 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.571 ' HG3' ' CH2' ' A' ' 33' ' ' TRP . 1.8 Cg_endo -89.65 -171.76 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.95 1.5 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -90.97 54.46 2.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.293 -0.879 . . . . 0.0 109.455 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.84 -102.82 2.22 Favored Glycine 0 C--N 1.304 -1.197 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -139.85 -52.57 0.52 Allowed 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.239 -1.153 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.55 ' O ' ' C ' ' A' ' 40' ' ' ARG . 18.2 m-20 -84.03 87.5 7.14 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.248 -0.908 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.55 ' C ' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -19.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.351 0.596 . . . . 0.0 111.907 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -45.37 124.14 4.62 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.295 -0.878 . . . . 0.0 110.288 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.677 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -120.65 -14.79 8.55 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.595 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.882 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -151.32 158.9 4.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.832 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -168.1 101.86 0.45 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.094 177.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.836 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.88 121.97 46.46 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.017 -1.052 . . . . 0.0 109.906 179.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.557 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.42 110.34 3.07 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.298 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.862 ' CE2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -34.14 -37.83 0.05 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 112.003 -177.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ILE . . . -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 120.064 -1.647 . . . . 0.0 107.811 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.612 ' C ' HD13 ' A' ' 50' ' ' ILE . 9.0 m-20 -59.65 -5.98 1.03 Allowed 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.183 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.04 HG21 HD21 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.6 112.9 33.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.661 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HG2' ' NZ ' ' A' ' 104' ' ' LYS . 1.2 tmtt? -130.05 103.1 6.56 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 116.349 -2.14 . . . . 0.0 112.613 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.822 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.42 133.38 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.964 ' HG2' HD22 ' A' ' 100' ' ' LEU . 4.2 mp0 -143.67 128.01 17.81 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 117.062 -1.855 . . . . 0.0 112.185 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 1.066 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -143.83 112.32 6.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 178.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.066 HD13 ' O ' ' A' ' 54' ' ' LYS . 2.2 mm -141.69 103.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.007 -1.058 . . . . 0.0 109.941 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.672 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -119.15 27.15 0.12 Allowed Pre-proline 0 C--N 1.296 -1.72 0 O-C-N 121.368 -0.833 . . . . 0.0 111.048 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.774 ' HD2' HG22 ' A' ' 55' ' ' ILE . 2.4 Cg_endo -67.57 -3.08 9.53 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 116.154 -2.097 . . . . 0.0 111.774 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' N ' ' HE3' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -52.98 -27.81 20.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.914 -1.116 . . . . 0.0 108.399 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -144.23 43.21 0.99 Allowed Glycine 0 CA--C 1.538 1.519 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 39.8 mmtt -115.54 -177.69 3.21 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 120.33 -1.688 . . . . 0.0 112.891 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.677 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -31.37 -69.01 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.695 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -163.94 40.21 0.09 Allowed 'General case' 0 C--O 1.193 -1.883 0 O-C-N 120.756 -1.215 . . . . 0.0 112.194 179.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.715 ' HA ' ' HB3' ' A' ' 57' ' ' PRO . 0.1 OUTLIER 87.07 80.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 120.935 1.698 . . . . 0.0 112.931 178.197 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -133.41 133.27 42.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.49 179.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.866 ' HB2' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -119.93 166.85 12.78 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.833 -1.167 . . . . 0.0 110.519 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' H ' HD13 ' A' ' 55' ' ' ILE . 1.1 tt0 -145.72 126.4 14.28 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.465 -0.772 . . . . 0.0 109.657 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.04 HD21 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -136.58 150.28 48.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.822 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.3 t -120.78 158.0 23.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 C-N-CA 118.169 -1.412 . . . . 0.0 111.374 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -85.29 144.83 27.85 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 114.324 -1.307 . . . . 0.0 108.018 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.3 p80 -48.95 -36.1 16.63 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.55 -152.77 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.574 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.87 54.51 0.55 Allowed Glycine 0 C--N 1.299 -1.474 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.664 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 m-20 -129.41 139.23 51.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.881 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.761 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -108.43 157.85 18.05 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.509 ' CB ' HD23 ' A' ' 67' ' ' LEU . 1.4 m -127.66 105.89 8.78 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m120 -111.77 139.8 46.95 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.668 -1.27 . . . . 0.0 108.439 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.017 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -150.23 142.47 24.17 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 118.285 -1.366 . . . . 0.0 110.698 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.669 ' CE1' ' HB2' ' A' ' 80' ' ' SER . 6.8 t-80 -141.31 163.48 32.84 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 122.16 0.981 . . . . 0.0 111.971 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -148.84 145.28 27.44 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.727 ' C ' ' HB2' ' A' ' 85' ' ' ALA . 20.2 t -176.54 41.18 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.451 -2.031 . . . . 0.0 111.433 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.607 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -46.11 147.14 1.12 Allowed 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.717 -1.239 . . . . 0.0 109.93 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 81' ' ' ASN . 2.6 mt-10 -41.11 -50.01 3.45 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 121.623 -0.673 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.49 -6.43 15.42 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.165 -0.96 . . . . 0.0 110.334 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.617 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.8 OUTLIER -111.01 25.08 12.16 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 120.575 -1.328 . . . . 0.0 108.19 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.727 ' HB2' ' C ' ' A' ' 80' ' ' SER . . . -93.4 61.27 3.24 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.551 -1.343 . . . . 0.0 108.927 175.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -151.71 -153.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 120.55 -1.343 . . . . 0.0 111.877 -178.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.55 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -37.82 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.394 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -47.85 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.601 -1.312 . . . . 0.0 109.286 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.818 ' NH1' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.55 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -54.63 -13.35 0.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.574 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 95' ' ' LEU . . . -96.39 -32.32 12.42 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 2.4 t -58.93 -52.46 60.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.713 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 4.1 tttm -56.76 -50.3 72.67 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CA ' HE22 ' A' ' 97' ' ' GLN . 17.3 t70 -47.65 -22.19 0.47 Allowed 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 121.181 0.515 . . . . 0.0 109.727 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 ' CD2' ' A' ' 9' ' ' LEU . 6.2 mp -88.83 -49.7 6.66 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.783 HD13 ' HG ' ' A' ' 65' ' ' LEU . 21.8 mt -37.27 -68.37 0.15 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.898 0.856 . . . . 0.0 111.381 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.713 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -63.14 -0.86 0.83 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.532 -0.73 . . . . 0.0 110.122 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -91.72 -38.93 12.1 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.852 -1.155 . . . . 0.0 108.451 178.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.862 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.86 -28.45 26.01 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.964 HD22 ' HG2' ' A' ' 53' ' ' GLN . 12.8 mt -47.33 -34.9 5.26 Favored Pre-proline 0 C--N 1.304 -1.399 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 100' ' ' LEU . 32.2 Cg_exo -74.49 -0.26 9.51 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 O-C-N 124.401 1.737 . . . . 0.0 111.354 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 99' ' ' LEU . 6.6 tttt -87.32 -41.96 13.25 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.847 . . . . 0.0 111.422 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.739 ' CE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -104.4 2.7 31.49 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.434 -0.791 . . . . 0.0 109.473 -177.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' NZ ' ' HG2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.12 109.31 1.76 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.298 -0.876 . . . . 0.0 109.586 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -129.96 -63.4 0.91 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.322 -0.862 . . . . 0.0 109.009 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -89.62 177.93 6.41 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.304 -0.872 . . . . 0.0 109.272 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -160.11 177.77 10.36 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.198 -0.939 . . . . 0.0 109.44 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 42.4 p30 . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.406 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.87 -68.03 0.41 Allowed 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.23 -0.919 . . . . 0.0 109.485 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 5' ' ' SER . 52.6 m -145.98 125.3 13.05 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 p -59.19 84.49 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.472 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -126.12 177.13 6.56 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.223 -0.923 . . . . 0.0 109.398 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -65.3 161.18 20.06 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.194 -0.942 . . . . 0.0 109.642 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -119.96 110.4 16.66 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.038 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.587 HG12 ' SD ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -98.94 155.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.542 -1.349 . . . . 0.0 109.522 -178.068 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.954 ' HG ' HD13 ' A' ' 95' ' ' LEU . 12.7 tp -98.59 -41.71 7.61 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.639 -0.824 . . . . 0.0 112.582 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -174.07 159.05 3.2 Favored 'General case' 0 C--N 1.313 -0.988 0 O-C-N 119.241 -2.162 . . . . 0.0 111.385 179.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.48 141.83 32.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.465 0.65 . . . . 0.0 110.017 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.775 HG21 HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -124.05 126.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.606 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.012 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 36.9 tttt -63.87 -82.45 0.02 OUTLIER 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 117.629 -1.628 . . . . 0.0 109.093 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -49.15 123.82 7.93 Favored 'General case' 0 C--N 1.272 -2.782 0 O-C-N 119.83 -1.794 . . . . 0.0 112.16 -176.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.025 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.3 t -150.09 146.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 10.0 tpp180 -122.56 134.61 54.53 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.635 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 1.8 pt20 -139.67 134.72 32.39 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 mtpp -36.17 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.992 -0.442 . . . . 0.0 111.544 -173.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -83.2 -53.28 5.89 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.36 -1.462 . . . . 0.0 110.081 177.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -151.55 168.67 24.2 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.478 0.656 . . . . 0.0 111.006 -174.227 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.625 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.79 131.34 53.24 Favored 'General case' 0 C--N 1.298 -1.646 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 175.536 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.1 166.46 36.35 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.012 ' HA ' ' O ' ' A' ' 13' ' ' LYS . . . -85.24 136.95 33.29 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 122.878 1.323 . . . . 0.0 110.915 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.025 ' HB2' HG21 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -108.69 133.82 52.26 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.749 -175.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.612 ' CZ ' HG13 ' A' ' 11' ' ' ILE . 6.8 m-85 -113.95 138.76 49.9 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.875 HD22 HG13 ' A' ' 92' ' ' VAL . 1.4 mp -117.08 135.89 53.39 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.126 -1.609 . . . . 0.0 108.29 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.587 ' SD ' HG12 ' A' ' 8' ' ' VAL . 9.8 ttm -126.02 143.49 51.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -43.38 -57.61 2.96 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.276 -0.89 . . . . 0.0 109.176 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 4.9 tt0 -85.42 -6.2 59.23 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.688 -175.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -164.0 165.04 22.91 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 119.393 -2.067 . . . . 0.0 111.72 179.131 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.59 HG13 ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -109.02 135.45 47.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . . . -121.38 146.82 46.48 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 121.121 -0.987 . . . . 0.0 111.278 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.906 ' N ' HG22 ' A' ' 43' ' ' ILE . 21.8 t90 -126.59 143.3 51.26 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.998 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.857 ' HB2' ' O ' ' A' ' 40' ' ' ARG . . . -151.06 120.75 3.6 Favored Pre-proline 0 C--N 1.297 -1.702 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.019 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 42' ' ' THR . 2.7 Cg_endo -75.2 -40.87 0.73 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 123.904 1.476 . . . . 0.0 110.25 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -141.88 -172.2 3.51 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.163 -0.961 . . . . 0.0 109.677 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.09 -19.92 76.47 Favored Glycine 0 C--N 1.306 -1.116 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -68.27 -7.9 34.8 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.221 -1.164 . . . . 0.0 109.477 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -148.8 44.79 1.01 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.178 -0.951 . . . . 0.0 109.31 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.857 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -28.76 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.535 0.684 . . . . 0.0 111.75 -178.453 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 39' ' ' ASP . 16.0 m-85 -126.23 77.16 1.67 Allowed 'General case' 0 C--N 1.283 -2.32 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.386 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.656 HG21 ' CE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -76.56 -13.06 60.11 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.906 HG22 ' N ' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -151.7 159.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 C-N-CA 119.036 -1.066 . . . . 0.0 111.793 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 1.1 t -167.79 102.39 0.48 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.035 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.781 ' CE1' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.86 121.5 45.38 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 120.933 -1.104 . . . . 0.0 109.311 179.03 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -69.76 118.07 12.16 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.794 179.392 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.823 ' CE2' HD13 ' A' ' 99' ' ' LEU . 5.0 m-30 -40.65 -45.44 2.36 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.632 -0.667 . . . . 0.0 110.475 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.26 -33.95 74.03 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 120.001 -1.687 . . . . 0.0 108.253 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.7 m-20 -67.57 -4.1 10.73 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.525 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.864 HG22 HD13 ' A' ' 69' ' ' LEU . 39.4 pt -138.67 136.26 43.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.558 -0.714 . . . . 0.0 109.084 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 2.8 tmtt? -141.25 103.37 4.42 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 116.319 -2.152 . . . . 0.0 112.846 178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.681 ' CB ' ' HB ' ' A' ' 68' ' ' VAL . 8.7 t 172.55 133.33 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 174.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.765 ' HB3' HD21 ' A' ' 100' ' ' LEU . 11.3 mp0 -144.0 127.63 17.09 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 117.234 -1.787 . . . . 0.0 111.754 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' HG23 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -141.41 112.67 7.44 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.195 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.704 ' H ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -150.58 102.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.058 -1.026 . . . . 0.0 109.583 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.625 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -120.52 34.99 0.23 Allowed Pre-proline 0 C--N 1.298 -1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.747 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -73.58 52.77 2.54 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 116.096 -2.136 . . . . 0.0 112.15 -178.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 -23.99 13.91 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.68 29.98 1.97 Allowed Glycine 0 C--N 1.307 -1.076 0 N-CA-C 106.443 -2.663 . . . . 0.0 106.443 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 56' ' ' SER . 4.4 mmpt? -98.29 -174.55 2.87 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 122.43 1.11 . . . . 0.0 112.445 -176.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.825 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -40.87 -69.95 0.12 Allowed 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.336 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 1.21 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -171.9 52.34 0.02 OUTLIER 'General case' 0 C--O 1.192 -1.951 0 CA-C-O 117.78 -1.105 . . . . 0.0 111.113 177.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.21 HG22 ' O ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER 85.55 81.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 122.688 1.233 . . . . 0.0 114.251 179.123 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -126.2 131.24 52.03 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.531 177.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.865 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.99 167.29 16.1 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 120.845 -1.159 . . . . 0.0 109.626 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 121.108 -0.995 . . . . 0.0 111.008 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -135.31 152.41 51.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.063 HG22 HG23 ' A' ' 74' ' ' THR . 3.3 t -128.23 158.18 40.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 C-N-CA 117.923 -1.511 . . . . 0.0 110.865 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -90.53 142.69 27.48 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.993 -177.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 49' ' ' ASP . 5.2 p80 -46.14 -31.39 2.37 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' LEU . . . -74.48 -154.31 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.53 51.63 0.69 Allowed Glycine 0 C--N 1.297 -1.621 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.611 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 42.1 m-20 -129.33 132.04 47.03 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.063 HG23 HG22 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.66 161.84 14.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.058 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.1 m -134.65 104.68 6.15 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.477 ' CG ' ' CG ' ' A' ' 66' ' ' GLN . 1.5 m-20 -109.6 146.37 34.84 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.859 -1.151 . . . . 0.0 108.21 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -147.65 147.93 30.52 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 118.208 -1.397 . . . . 0.0 110.625 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -141.21 165.54 27.25 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 122.165 0.984 . . . . 0.0 110.356 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.897 ' CD2' HG22 ' A' ' 15' ' ' VAL . 54.0 m-85 -133.59 142.26 48.05 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.591 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -165.96 127.9 1.93 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 118.962 -2.336 . . . . 0.0 109.747 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.716 ' N ' ' HB2' ' A' ' 85' ' ' ALA . 1.9 m120 -150.92 -141.44 0.11 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.518 ' HG3' ' N ' ' A' ' 83' ' ' SER . 19.9 pt-20 -104.28 -37.22 7.34 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.518 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 3.5 m -150.67 11.27 0.67 Allowed 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.406 -0.917 . . . . 0.0 111.876 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 84' ' ' THR . 0.7 OUTLIER -123.69 14.19 9.37 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.18 -1.575 . . . . 0.0 107.935 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.716 ' HB2' ' N ' ' A' ' 81' ' ' ASN . . . -92.25 22.71 4.28 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.038 -1.039 . . . . 0.0 113.442 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 87' ' ' LYS . 93.8 t -131.11 -95.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 119.368 -2.082 . . . . 0.0 110.541 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 90' ' ' ASP . 6.0 mtmt -35.56 -70.31 0.09 Allowed 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.357 -0.839 . . . . 0.0 111.861 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -35.91 -65.91 0.23 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.981 0.895 . . . . 0.0 109.806 -178.058 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.662 ' HG3' ' CB ' ' A' ' 79' ' ' PHE . 3.8 mmt180 -56.83 -39.62 74.56 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.665 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.5 t0 -54.61 -16.21 2.29 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -94.22 -36.83 11.84 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.875 HG13 HD22 ' A' ' 26' ' ' LEU . 7.0 t -57.77 -55.21 22.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 9.5 tttm -55.15 -53.01 61.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.585 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 11.6 t0 -39.91 -26.69 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.954 HD13 ' HG ' ' A' ' 9' ' ' LEU . 1.3 mt -84.57 -47.81 10.18 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.818 ' O ' HD13 ' A' ' 100' ' ' LEU . 3.0 mt -37.69 -61.01 0.66 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.571 0.7 . . . . 0.0 110.368 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.693 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -69.22 -2.19 9.87 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.913 -178.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.76 -31.26 12.74 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.32 -0.863 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -93.06 -31.97 14.65 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.887 -1.133 . . . . 0.0 109.019 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 96' ' ' LEU . 5.8 mp -47.07 -38.1 12.1 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 100' ' ' LEU . 31.7 Cg_exo -68.7 -3.33 11.01 Favored 'Trans proline' 0 C--N 1.301 -1.924 0 O-C-N 124.443 1.759 . . . . 0.0 111.487 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 3.6 tttt -87.34 -42.88 12.55 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.205 -0.934 . . . . 0.0 111.774 -178.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -109.5 -0.63 18.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.409 -0.807 . . . . 0.0 110.249 -176.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -154.7 102.69 2.39 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 14.5 ttp180 -160.12 66.01 0.35 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.276 -0.89 . . . . 0.0 109.41 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -62.02 134.45 56.64 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.166 -0.959 . . . . 0.0 109.42 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.54 22.88 0.23 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.242 -0.911 . . . . 0.0 109.373 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.305 -1.353 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.472 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.15 140.5 51.92 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.231 -0.918 . . . . 0.0 109.367 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 m -115.86 -35.88 4.33 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.205 -0.934 . . . . 0.0 109.527 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -134.43 -144.56 0.22 Allowed 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.21 -0.931 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -104.1 -81.26 0.52 Allowed 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.59 ' CB ' ' CE ' ' A' ' 27' ' ' MET . 3.1 mp0 -69.17 161.83 28.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.164 -0.96 . . . . 0.0 109.799 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.93 110.28 16.1 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG12 ' CE ' ' A' ' 27' ' ' MET . 1.2 m -99.0 155.06 3.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 120.261 -1.524 . . . . 0.0 108.959 -178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 95' ' ' LEU . 18.2 tp -99.08 -40.83 7.82 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.318 -0.953 . . . . 0.0 113.182 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 10.3 tp -167.05 163.86 15.85 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 119.095 -2.253 . . . . 0.0 111.757 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.25 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.941 HG21 ' HE2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -126.26 101.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 CA-C-O 122.323 1.059 . . . . 0.0 110.804 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.797 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -51.71 -18.32 1.18 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.057 179.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.0 tptt -115.17 114.79 25.74 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 119.374 -0.93 . . . . 0.0 111.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.956 HG21 ' HB2' ' A' ' 24' ' ' LEU . 25.1 t -150.64 147.61 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 C-N-CA 118.003 -1.479 . . . . 0.0 110.227 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 11.6 tpp180 -125.35 128.98 49.02 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.63 ' HG2' ' H ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -134.55 138.44 44.62 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -36.39 -22.87 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.005 -0.434 . . . . 0.0 111.447 -174.224 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.635 ' CG ' ' N ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -81.13 -56.83 3.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.376 -1.453 . . . . 0.0 109.705 177.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 1.2 mm-40 -151.66 169.01 23.21 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.845 0.831 . . . . 0.0 111.218 -173.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.652 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.51 133.05 50.9 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 100.366 -3.939 . . . . 0.0 100.366 176.492 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -162.01 166.19 36.18 Favored Glycine 0 C--N 1.294 -1.768 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -175.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.79 137.38 33.22 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 122.804 1.288 . . . . 0.0 109.104 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.112 HD11 ' CD2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -108.32 134.66 50.83 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.377 -175.018 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.694 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.1 m-85 -110.99 137.53 48.5 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 99' ' ' LEU . 7.1 tt -119.22 136.38 54.24 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 119.92 -1.738 . . . . 0.0 107.305 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.762 ' CE ' HG12 ' A' ' 8' ' ' VAL . 7.8 ttt -129.85 142.89 50.6 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -42.14 -56.79 2.74 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.115 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.521 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.3 tp10 -86.07 -8.86 57.6 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.751 -0.779 . . . . 0.0 112.919 -175.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -160.62 162.95 32.93 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.33 -2.106 . . . . 0.0 111.882 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.687 HG22 ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -109.72 128.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -113.53 155.68 24.94 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.344 -0.848 . . . . 0.0 110.512 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.94 ' O ' HG22 ' A' ' 42' ' ' THR . 25.9 t90 -138.16 140.81 40.01 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.813 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.931 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . . . -150.62 135.83 10.12 Favored Pre-proline 0 C--N 1.294 -1.836 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.821 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER -111.47 -56.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.285 0 O-C-N 123.888 1.467 . . . . 0.0 108.522 177.378 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.35 94.36 1.08 Allowed 'General case' 0 C--N 1.308 -1.219 0 O-C-N 121.514 -0.741 . . . . 0.0 109.145 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 -166.62 14.32 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.164 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.47 -22.37 12.57 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.251 -1.147 . . . . 0.0 109.789 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -72.42 156.79 38.68 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.624 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.8 mpt_? -47.72 -26.85 1.71 Allowed 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 122.02 0.914 . . . . 0.0 108.722 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.931 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -160.04 -175.9 5.36 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.761 0.791 . . . . 0.0 109.851 178.079 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 1.006 HG23 ' CG2' ' A' ' 43' ' ' ILE . 1.3 t -91.54 -37.62 13.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.759 -0.588 . . . . 0.0 109.61 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.006 ' CG2' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -142.69 171.72 9.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 O-C-N 120.93 -1.107 . . . . 0.0 109.836 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.523 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -162.03 115.22 1.8 Allowed 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 120.889 -1.132 . . . . 0.0 110.266 -178.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -69.07 108.82 3.71 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.152 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -39.15 -41.75 0.87 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.743 -0.598 . . . . 0.0 110.846 -178.395 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . . . -66.18 -46.23 78.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.159 -1.588 . . . . 0.0 108.229 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' MET . 3.0 m-20 -47.29 -31.39 3.79 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.0 ' CD1' HD21 ' A' ' 67' ' ' LEU . 2.9 pp -109.55 153.32 11.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.167 -1.013 . . . . 0.0 110.386 -177.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.63 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 9.1 tptt -144.57 102.99 3.89 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 117.489 -1.684 . . . . 0.0 110.907 177.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.873 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 172.19 128.72 0.02 OUTLIER 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 67' ' ' LEU . 10.6 mm-40 -144.09 125.27 14.57 Favored 'General case' 0 C--N 1.285 -2.204 0 C-N-CA 117.755 -1.578 . . . . 0.0 110.84 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -141.42 111.82 6.93 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 54' ' ' LYS . 1.6 mp -126.27 102.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.673 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -119.4 19.49 0.08 OUTLIER Pre-proline 0 C--N 1.301 -1.542 0 O-C-N 121.365 -0.835 . . . . 0.0 111.89 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 56' ' ' SER . 1.9 Cg_endo -63.5 -10.2 20.88 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 115.696 -2.403 . . . . 0.0 110.812 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -22.59 3.95 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.319 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.07 17.49 2.34 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.61 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 6.1 mmtm -79.93 -122.52 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.647 -1.502 . . . . 0.0 110.833 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.591 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -121.31 -46.17 2.3 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 120.775 -1.203 . . . . 0.0 110.513 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -159.49 44.24 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 118.309 -1.356 . . . . 0.0 112.447 -179.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.93 HD13 ' C ' ' A' ' 89' ' ' ARG 0.326 0.0 OUTLIER 75.31 83.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 123.859 1.79 . . . . 0.0 113.041 178.971 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -124.01 134.65 53.4 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.887 -1.96 . . . . 0.0 108.232 178.57 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -126.58 163.56 23.14 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.542 -1.349 . . . . 0.0 110.06 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -146.09 131.61 18.76 Favored 'General case' 0 C--N 1.314 -0.94 0 O-C-N 121.301 -0.875 . . . . 0.0 111.218 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.0 HD21 ' CD1' ' A' ' 50' ' ' ILE . 0.5 OUTLIER -136.27 150.21 48.83 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -178.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 74' ' ' THR . 2.0 t -128.3 157.82 40.55 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 123.268 1.508 . . . . 0.0 111.405 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -90.07 146.66 24.16 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.558 -176.561 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.63 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 80.7 m-70 -45.6 -32.5 2.36 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -76.33 -154.28 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.373 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.81 51.79 0.68 Allowed Glycine 0 C--N 1.298 -1.559 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 6.1 t0 -128.79 128.67 44.42 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 68' ' ' VAL . 6.6 m -108.5 163.28 13.36 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 9.7 m -128.14 112.5 14.62 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -109.45 136.09 49.42 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.112 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -145.72 143.96 30.07 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.74 ' NE2' ' HG2' ' A' ' 62' ' ' LYS . 60.8 t-80 -141.4 164.06 31.25 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.144 0.973 . . . . 0.0 110.89 -177.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.941 ' HE2' HG21 ' A' ' 12' ' ' VAL . 22.5 m-85 -123.59 130.17 52.26 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -179.04 -21.93 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.063 0 O-C-N 118.55 -2.593 . . . . 0.0 110.935 178.367 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.581 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -28.84 -90.55 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.909 -0.494 . . . . 0.0 111.424 -176.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' O ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -60.62 -114.25 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -150.1 88.34 1.52 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.643 ' HG1' ' CD ' ' A' ' 88' ' ' GLU . 1.5 t -150.3 10.67 0.68 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 109.582 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -67.69 78.96 0.19 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 122.811 1.291 . . . . 0.0 108.753 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.731 HG22 ' OE2' ' A' ' 88' ' ' GLU . 13.1 m -150.98 -143.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.583 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -40.48 -56.23 2.1 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 121.447 -0.783 . . . . 0.0 110.873 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.731 ' OE2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -38.95 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 122.236 1.017 . . . . 0.0 110.443 -179.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.93 ' C ' HD13 ' A' ' 63' ' ' ILE . 6.6 mmt180 -56.65 -42.27 78.65 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 87' ' ' LYS . 4.0 t70 -54.86 -13.05 0.93 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.583 ' O ' ' HG ' ' A' ' 95' ' ' LEU . . . -95.55 -37.94 10.65 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.908 HG21 HG11 ' A' ' 12' ' ' VAL . 13.4 t -58.19 -50.97 76.54 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 7.7 ttpp -56.86 -50.87 71.16 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . 35.7 t70 -41.08 -29.18 0.11 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.2 mt -85.06 -43.72 13.66 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.902 ' HA ' HD11 ' A' ' 99' ' ' LEU . 20.7 mt -38.67 -66.13 0.3 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.223 1.011 . . . . 0.0 110.186 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.852 ' HA ' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -60.79 -2.08 0.5 Allowed 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.514 -0.741 . . . . 0.0 110.671 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -103.3 -23.79 13.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.955 -1.091 . . . . 0.0 110.167 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.152 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -92.6 -34.98 13.8 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 120.85 -1.156 . . . . 0.0 109.437 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -48.87 -36.26 12.61 Favored Pre-proline 0 C--N 1.305 -1.334 0 C-N-CA 118.559 -1.257 . . . . 0.0 108.385 -178.06 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD3' ' CG ' ' A' ' 100' ' ' LEU . 32.1 Cg_exo -70.58 -11.04 29.13 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.287 1.677 . . . . 0.0 111.424 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.49 -47.64 19.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 111.164 -178.543 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.72 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -101.83 5.53 41.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.568 -0.708 . . . . 0.0 110.408 -177.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HG2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -126.56 20.63 7.23 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.036 -1.04 . . . . 0.0 109.512 179.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -144.19 -2.06 0.91 Allowed 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.665 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.8 164.96 27.62 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 120.812 -1.18 . . . . 0.0 109.588 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.28 -16.84 20.15 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.6 t30 . . . . . 0 C--N 1.305 -1.355 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.439 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.319 0.58 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.77 -65.51 0.55 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.2 -0.938 . . . . 0.0 109.446 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -54.24 134.58 44.78 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.262 -0.899 . . . . 0.0 109.5 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 3' ' ' THR . 1.2 m -56.5 -162.6 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.565 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -119.61 -57.28 1.99 Allowed 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.143 -0.973 . . . . 0.0 109.868 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.493 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 14.4 tp10 -66.15 163.6 17.31 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.295 1.045 . . . . 0.0 110.272 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 2.9 mt-10 -119.65 110.95 17.44 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.148 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 ' SD ' ' A' ' 27' ' ' MET . 2.6 m -98.91 155.39 3.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.64 -1.288 . . . . 0.0 109.618 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 33.5 tp -98.46 -28.92 13.4 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.706 -0.798 . . . . 0.0 112.813 -176.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' LEU . 29.5 tp -177.48 145.13 0.42 Allowed 'General case' 0 C--O 1.208 -1.113 0 O-C-N 119.283 -2.136 . . . . 0.0 110.189 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.686 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -140.1 141.76 33.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.38 -0.825 . . . . 0.0 109.675 179.568 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.7 HG21 ' HE2' ' A' ' 79' ' ' PHE . 0.8 OUTLIER -116.67 103.92 15.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 121.911 0.862 . . . . 0.0 108.949 178.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.73 -18.79 9.05 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.242 1.02 . . . . 0.0 110.241 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.4 tptp -113.61 118.65 34.99 Favored 'General case' 0 C--N 1.278 -2.513 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.063 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 24' ' ' LEU . 4.9 t -151.07 148.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.361 174.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HA ' ' HA ' ' A' ' 21' ' ' ASP . 2.1 ttm180 -122.86 146.11 47.85 Favored 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.641 ' HG3' ' H ' ' A' ' 20' ' ' GLN . 3.4 pt20 -148.25 133.87 18.8 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -36.72 -23.64 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.196 0 O-C-N 121.766 -0.584 . . . . 0.0 111.116 -174.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.622 ' HG3' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -79.54 -55.36 5.1 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.561 -1.337 . . . . 0.0 110.181 178.102 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.641 ' H ' ' HG3' ' A' ' 17' ' ' GLN . 45.7 mm-40 -151.75 168.7 24.21 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.527 0.68 . . . . 0.0 110.196 -175.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -105.97 128.42 53.8 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 101.924 -3.362 . . . . 0.0 101.924 176.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.559 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -161.67 165.77 35.79 Favored Glycine 0 C--N 1.299 -1.492 0 C-N-CA 119.902 -1.142 . . . . 0.0 111.355 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 13' ' ' LYS . . . -84.27 131.9 34.68 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 123.287 1.517 . . . . 0.0 111.138 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.048 HD11 ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -107.57 135.46 48.99 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.367 -1.742 . . . . 0.0 108.499 -175.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.68 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 3.6 m-85 -115.75 136.35 53.14 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 27' ' ' MET . 1.5 tt -112.91 132.03 55.49 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.138 -1.601 . . . . 0.0 106.754 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.697 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.2 ttp -122.73 152.25 40.77 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 27' ' ' MET . . . -36.71 -55.19 0.88 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.03 -0.419 . . . . 0.0 110.906 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 tt0 -104.7 -0.41 27.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.42 -1.425 . . . . 0.0 112.389 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -155.29 162.65 40.82 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 119.191 -2.193 . . . . 0.0 113.427 -178.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 1.2 mt -109.65 131.71 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.415 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -115.72 160.72 19.7 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.944 0.878 . . . . 0.0 110.761 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 21.4 t90 -136.53 145.41 45.03 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.322 1.058 . . . . 0.0 110.942 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 40' ' ' ARG . . . -150.9 104.68 3.02 Favored Pre-proline 0 C--N 1.29 -1.995 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.796 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 33' ' ' TRP . 1.5 Cg_endo -70.54 164.02 36.81 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.193 1.628 . . . . 0.0 110.587 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' A' ' 37' ' ' GLY . 18.9 mt-10 -65.72 -6.07 10.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.462 -0.774 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' C ' ' CG ' ' A' ' 38' ' ' LYS . . . -41.36 -94.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -157.46 -56.94 0.08 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.91 -1.347 . . . . 0.0 110.179 -179.567 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -53.63 82.03 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.401 -0.812 . . . . 0.0 111.685 -178.312 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.719 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -17.47 -46.07 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 39' ' ' ASP . 10.2 m-85 -111.23 146.29 37.21 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.568 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -125.78 -46.58 1.71 Allowed 'General case' 0 C--N 1.31 -1.112 0 O-C-N 121.457 -0.777 . . . . 0.0 109.849 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.851 HD12 ' CE1' ' A' ' 45' ' ' HIS . 2.7 pt -150.61 177.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 C-N-CA 118.905 -1.118 . . . . 0.0 112.454 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -168.83 114.3 0.6 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.851 ' CE1' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -109.12 120.1 41.5 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 120.814 -1.179 . . . . 0.0 110.024 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.538 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -65.64 104.43 1.03 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.695 -0.628 . . . . 0.0 109.601 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.023 ' CE2' HD13 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -29.04 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.194 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 70' ' ' HIS . . . -66.82 -46.17 76.02 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.123 -1.61 . . . . 0.0 108.874 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' MET . 76.3 m-20 -62.32 -12.38 20.65 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -111.33 118.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' CE ' ' HB3' ' A' ' 104' ' ' LYS . 24.5 tptp -137.9 102.72 4.79 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 116.154 -2.219 . . . . 0.0 112.064 178.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.876 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER 171.92 125.63 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 175.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.869 ' HG3' HD13 ' A' ' 100' ' ' LEU . 1.8 mt-30 -142.51 122.65 13.75 Favored 'General case' 0 C--N 1.281 -2.38 0 C-N-CA 116.947 -1.901 . . . . 0.0 111.575 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -131.91 113.66 13.71 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.395 -1.729 . . . . 0.0 108.094 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.718 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.0 pp -112.08 103.02 14.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.868 -1.145 . . . . 0.0 109.317 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.656 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -118.33 28.14 0.13 Allowed Pre-proline 0 C--N 1.304 -1.411 0 O-C-N 121.175 -0.953 . . . . 0.0 112.501 -179.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.7 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 3.9 Cg_exo -86.09 47.34 1.8 Allowed 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 114.977 -2.882 . . . . 0.0 110.367 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -92.7 -27.39 17.29 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.2 40.1 1.37 Allowed Glycine 0 CA--C 1.532 1.117 0 N-CA-C 107.422 -2.271 . . . . 0.0 107.422 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 2.4 mmtt -97.91 -139.05 0.29 Allowed 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.675 -0.897 . . . . 0.0 109.057 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' O ' ' HD2' ' A' ' 62' ' ' LYS . . . -98.37 -25.99 14.63 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.641 ' CG ' ' NE2' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -171.47 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.356 1.074 . . . . 0.0 109.675 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.732 HG23 ' HB2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -158.28 84.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.346 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -175.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -109.12 131.25 55.25 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.916 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -121.08 165.98 14.55 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.802 -1.186 . . . . 0.0 111.313 -178.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -133.7 130.44 38.16 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.784 0.802 . . . . 0.0 110.529 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.072 HD21 HG21 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -134.46 130.37 36.63 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 52' ' ' CYS . 2.0 t -109.95 158.37 10.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 122.955 1.359 . . . . 0.0 110.334 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -88.33 147.79 24.6 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.625 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 48' ' ' ALA . 9.5 m-70 -46.9 -31.43 3.11 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 69' ' ' LEU . . . -77.89 -149.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.095 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.98 52.94 0.6 Allowed Glycine 0 C--N 1.302 -1.354 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.586 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 m-20 -127.98 141.06 51.63 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.235 -178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -109.02 155.07 21.33 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.829 0.824 . . . . 0.0 109.546 -178.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.578 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -130.71 104.41 7.17 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.6 m-20 -110.91 139.44 46.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.788 -1.195 . . . . 0.0 109.512 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 1.048 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -141.79 153.73 44.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 122.625 1.203 . . . . 0.0 111.013 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.697 ' CE1' ' O ' ' A' ' 79' ' ' PHE . 58.4 t-80 -135.28 168.96 18.21 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.678 -1.147 . . . . 0.0 109.104 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.056 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 91.4 m-85 -135.74 148.79 48.96 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.331 -0.856 . . . . 0.0 109.613 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.601 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 t -177.05 117.62 0.11 Allowed 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.244 177.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.797 ' H ' ' HB2' ' A' ' 85' ' ' ALA . 8.3 m120 -136.44 146.08 45.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 83' ' ' SER . 9.3 pt-20 -43.19 -32.96 0.82 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.55 -0.719 . . . . 0.0 109.532 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -143.02 7.56 1.62 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 0.0 111.22 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 84' ' ' THR . 1.2 m -122.46 31.55 6.08 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.496 -1.377 . . . . 0.0 107.417 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.797 ' HB2' ' H ' ' A' ' 81' ' ' ASN . . . -93.1 28.54 2.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.71 -1.244 . . . . 0.0 113.611 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 87' ' ' LYS . 29.0 m -142.34 -123.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 119.279 -2.138 . . . . 0.0 112.62 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 tttt -34.21 -51.88 0.45 Allowed 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.494 -0.753 . . . . 0.0 110.722 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -41.68 -61.06 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.016 0.913 . . . . 0.0 109.767 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 1.9 mmp_? -64.52 -48.51 74.85 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.562 ' CB ' ' HA ' ' A' ' 87' ' ' LYS . 9.9 t0 -37.96 -45.23 0.86 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 94' ' ' ASP . . . -66.97 -48.94 66.96 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.056 HG11 ' CZ ' ' A' ' 79' ' ' PHE . 24.4 t -41.18 -58.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.662 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 11.0 ttpp -63.79 -31.8 73.1 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.586 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 3.6 t70 -64.04 -13.6 48.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.481 ' C ' ' NE2' ' A' ' 97' ' ' GLN . 2.5 mm? -99.8 -47.12 5.16 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 99' ' ' LEU . 12.3 mt -45.26 -66.09 0.45 Allowed 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.704 -0.622 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -62.23 -1.77 0.82 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.941 -1.099 . . . . 0.0 110.807 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.448 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -94.06 -38.66 11.02 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.861 -1.149 . . . . 0.0 109.199 179.635 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.11 -27.69 32.68 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 121.118 -0.989 . . . . 0.0 108.469 179.163 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.869 HD13 ' HG3' ' A' ' 53' ' ' GLN . 4.3 tp -43.65 -33.84 1.07 Allowed Pre-proline 0 C--N 1.31 -1.15 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 100' ' ' LEU . 40.7 Cg_exo -76.27 -34.79 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.651 1.869 . . . . 0.0 110.537 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.583 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -49.23 -35.05 16.34 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.592 -0.692 . . . . 0.0 110.875 -179.474 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.687 ' CZ ' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -118.33 -3.42 10.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.082 -178.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' A' ' 103' ' ' PHE . 8.4 mmtp -143.89 88.38 1.97 Allowed 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.356 -0.84 . . . . 0.0 109.652 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -118.72 -55.81 2.17 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.058 -1.026 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -99.46 -165.43 1.23 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.289 -0.882 . . . . 0.0 109.527 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -139.9 -91.42 0.17 Allowed 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.265 -0.897 . . . . 0.0 109.395 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 C--N 1.305 -1.327 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.414 -179.991 . . . . . . . . 0 0 . 1 stop_ save_