data_6kbv_residue ############################ # Computer software used # ############################ 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 6kbv _Structure_validation_residue.Date_analyzed 2019-08-09 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 75.33 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.03 101.59 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.15 111.11 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.38 -9.46 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 75.35 110.867 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.91 -4.23 69.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 71.15 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -121.33 -8.83 9.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 74.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 -14.57 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.887 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -36.52 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -70.78 80.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 63.54 110.887 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -78.27 -62.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 65.52 110.913 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 -26.0 28.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 62.31 112.36 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -75.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.875 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -19.38 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.85 -81.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 72.2 112.445 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -11.53 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 72.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.93 -28.66 25.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 74.45 112.527 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 75.43 112.515 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.851 0.358 . . . . 73.24 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.97 -36.82 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.0 -21.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 73.43 111.1 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 -32.34 22.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.15 111.1 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -78.25 -31.77 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.52 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -78.19 -21.5 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.849 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.52 -24.48 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.909 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.43 -1.93 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.17 81.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -29.02 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -72.22 -35.13 68.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -79.43 120.1 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.9 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 109.73 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.159 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -120.04 107.13 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.05 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 -9.35 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.55 110.86 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.72 -6.24 49.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -83.51 -25.86 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.889 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -27.8 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.861 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -89.32 -22.69 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -48.45 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.45 110.915 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -93.91 5.31 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.91 -37.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.444 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -20.41 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 74.44 110.905 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -50.85 -32.24 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.133 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.946 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 70.02 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.0 76.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 63.34 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -119.87 -19.88 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -18.32 63.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 70.14 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.64 2.13 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.354 . . . . 72.21 110.918 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -118.34 -10.93 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.958 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.34 -28.48 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.817 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -86.6 -82.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.883 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.504 ' C ' ' H ' ' A' ' 11' ' ' LEU . 72.3 m -125.56 134.32 25.71 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.66 0.743 . . . . 63.41 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 32.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 73.04 112.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.3 pp -122.95 -35.0 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.948 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.18 -13.84 60.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.81 -54.58 2.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -85.16 -36.04 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 75.5 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.96 -73.55 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 74.13 112.529 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.527 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.8 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.875 0.369 . . . . 75.34 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -120.68 -9.39 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 71.35 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.19 -33.22 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.091 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.34 -5.68 39.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 70.54 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.4 -18.8 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 74.43 111.155 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -38.75 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.172 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -16.36 59.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.891 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -9.74 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.88 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -2.39 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.855 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.04 74.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -51.54 -35.25 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.801 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -60.91 -34.54 74.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -93.09 -75.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 74.45 110.916 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 112.93 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 74.44 111.168 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -67.26 -76.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.83 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.42 93.03 4.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.847 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -121.18 -16.17 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -92.92 -28.14 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -27.13 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.924 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -18.69 22.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.904 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.44 -48.63 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.824 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -101.36 12.45 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.827 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.49 -15.67 52.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 64.14 112.465 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -25.66 58.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 75.13 110.925 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -52.69 -33.66 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.41 111.155 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.983 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.929 0.395 . . . . 74.14 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.02 87.02 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 64.22 111.122 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -119.45 -20.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.82 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.09 -19.48 61.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.507 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -121.8 -8.02 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 73.14 110.924 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -98.95 -19.68 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.88 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -36.77 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.61 74.81 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 74.35 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.58 -62.28 0.81 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 74.44 110.937 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.8 -8.22 23.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.67 2.246 . . . . 73.2 112.348 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 -69.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.942 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.867 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -109.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 65.15 112.525 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -17.67 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.41 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.29 -25.01 60.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 64.4 112.503 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 74.13 112.511 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.884 0.373 . . . . 75.04 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.94 -2.14 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 72.41 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.67 -31.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.33 111.113 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -96.92 2.44 51.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 64.32 111.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.84 -31.17 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 63.35 111.163 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 pt -56.1 -34.68 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 72.53 111.195 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -11.5 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.833 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -18.94 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.89 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.5 -16.32 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.968 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.62 72.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.892 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -35.2 80.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -33.44 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.24 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -75.8 -69.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 74.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.5 120.03 36.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 73.01 111.198 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.7 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 65.1 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -96.35 99.42 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.53 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.66 -11.35 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.859 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.29 -22.02 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.97 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -110.19 -47.24 3.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.907 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -78.77 -11.23 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -120.37 -58.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -92.87 10.66 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.55 110.873 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.31 -26.37 2.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 63.32 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.16 -27.32 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.375 . . . . 73.4 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -52.48 -33.54 45.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.123 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.887 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.372 . . . . 65.42 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.27 93.94 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 74.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -118.84 -20.55 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.857 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.09 61.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 51.13 112.504 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -6.25 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 110.863 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -103.76 -18.31 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 64.4 110.926 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -32.65 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.853 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.7 82.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.25 -60.91 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 74.45 110.88 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.6 Cg_endo -69.72 -16.87 37.94 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.687 2.258 . . . . 70.13 112.324 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -87.57 -69.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -68.92 -15.48 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 75.51 110.923 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.66 -114.3 2.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -30.2 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 74.53 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.56 -27.63 27.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 60.13 112.462 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 73.34 112.481 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.876 0.369 . . . . 74.42 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -120.89 -31.57 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 73.31 110.842 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.93 -33.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -90.95 -0.47 57.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 62.31 111.143 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.05 -25.72 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.149 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.35 -13.56 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.01 110.862 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -90.42 -17.08 27.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -75.14 -5.87 46.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -73.77 71.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.866 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -26.63 38.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.846 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -67.23 -29.0 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.16 -78.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.888 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.63 120.33 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.185 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -121.05 14.14 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -100.32 -32.39 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.31 26.94 2.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.875 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -121.17 -43.61 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -113.89 -31.42 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.91 -12.88 54.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.806 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -120.96 -59.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -92.73 12.16 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.34 35.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 51.03 112.473 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -22.86 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 75.21 110.842 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.21 119.4 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.41 111.164 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.961 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 73.11 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 91.79 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.05 -20.09 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.834 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.51 -16.91 65.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.503 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -5.68 9.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 74.34 110.964 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -105.32 -14.46 15.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.03 110.922 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.74 -36.24 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -76.38 72.19 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.932 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.43 -61.85 1.33 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 73.34 110.881 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.81 -12.64 33.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 72.2 112.381 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.9 -69.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 73.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.36 -12.92 61.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 70.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -79.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 61.32 112.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -18.51 48.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 74.32 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.38 80.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 75.12 112.463 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 71.31 112.481 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.7 p90 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.892 0.377 . . . . 75.22 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -120.17 -9.96 9.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.13 -26.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -4.73 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.12 111.201 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.58 -28.45 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 70.23 111.119 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -39.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.3 1.2 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.943 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -110.08 11.46 23.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.884 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.83 4.79 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.835 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.27 -24.3 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.796 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -55.84 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 72.04 110.926 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -122.47 28.99 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.888 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -120.46 121.88 39.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.4 -68.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.173 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -78.44 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.829 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.85 80.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.87 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.86 -14.77 8.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.66 -17.3 27.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.85 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -120.72 -33.46 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 70.3 110.842 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -17.27 29.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.17 -49.12 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.84 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.03 12.48 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.932 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.73 -20.03 11.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 64.45 112.432 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -30.09 22.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.849 0.357 . . . . 71.42 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -51.77 -33.42 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 73.35 111.158 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.972 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 74.43 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.04 84.32 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.137 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.31 -19.58 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.49 -14.98 70.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.1 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 -8.15 8.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 74.03 110.921 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -17.43 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.901 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -29.01 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 75.25 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -81.71 65.5 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.98 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.481 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -73.22 -61.6 1.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 72.23 110.911 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.8 -10.87 29.58 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.629 2.219 . . . . 74.12 112.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -98.37 -73.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.943 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -68.56 -11.81 60.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.885 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 73.13 112.551 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.15 -48.98 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 74.05 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.36 60.29 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 52.25 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 73.43 112.491 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.858 0.361 . . . . 74.54 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.95 -12.4 60.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.31 -14.63 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.102 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -0.02 21.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.143 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.17 -31.77 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.102 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -39.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.41 111.166 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -16.76 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 75.34 110.827 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -16.26 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.824 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.49 -18.38 51.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 65.12 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.96 74.41 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -31.14 32.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.821 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -66.44 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.944 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.23 120.46 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -50.21 -33.28 18.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -60.4 99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.856 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -110.29 2.58 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.858 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -24.36 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.916 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -73.24 -75.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptt-85 -57.58 -20.95 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 74.25 110.851 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -47.16 -64.99 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.793 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -120.52 -29.5 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -82.25 1.55 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.07 -16.98 60.06 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.731 . . . . 71.33 112.548 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.38 -25.79 50.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.989 0.423 . . . . 74.25 110.906 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -51.74 -33.13 33.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 75.11 111.131 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.899 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.842 0.353 . . . . 65.02 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 86.12 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 72.32 111.059 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -118.38 -20.62 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.851 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -18.16 65.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.719 -0.753 . . . . 61.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -8.46 9.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.806 0.336 . . . . 75.12 110.919 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.8 -19.04 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.894 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -39.01 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 64.23 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.29 76.34 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.885 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.13 -62.25 0.61 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.527 0.68 . . . . 74.14 110.9 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.3 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 74.31 112.387 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.7 -67.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.3 110.932 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -17.92 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.915 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.18 -108.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.2 112.512 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -94.72 -7.73 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 72.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.08 -27.99 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.454 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 55.41 112.512 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.867 0.365 . . . . 74.14 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -117.5 12.55 14.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.93 -34.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.42 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -2.89 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.34 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.62 -22.68 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.51 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 75.32 111.108 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -16.69 52.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.13 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.18 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.893 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -9.79 55.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.883 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.21 74.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.887 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -50.82 -34.22 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.811 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -37.16 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.73 120.51 39.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.85 103.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 75.34 111.226 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -120.76 31.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.818 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -81.19 52.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 73.34 110.862 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 -16.93 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 73.02 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -91.72 -60.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.898 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -72.13 -12.99 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -65.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.801 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.75 -24.9 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 64.44 110.824 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -89.44 5.95 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.76 -12.6 74.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 62.12 112.431 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.08 -26.12 48.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 74.33 110.898 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -54.8 -33.35 61.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 74.32 111.213 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.15 110.895 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 75.03 111.119 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.32 84.2 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -118.75 -18.87 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.23 110.927 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -17.08 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 74.41 112.455 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.77 -8.26 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 74.12 110.879 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -105.51 -23.49 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.936 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -44.94 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.848 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.43 62.59 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 65.3 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -78.6 -62.69 0.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.13 110.891 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.2 Cg_endo -69.74 -7.26 20.61 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 73.42 112.417 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.49 -76.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -21.9 63.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 71.34 110.827 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.68 -92.85 1.76 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.498 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -46.82 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 70.13 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.31 58.56 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 73.2 112.605 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.671 -0.776 . . . . 70.04 112.43 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 72.24 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.55 -37.8 77.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.41 110.844 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.1 7.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.102 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.39 6.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.79 -33.85 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.129 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.62 -34.46 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.083 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.0 -17.08 56.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.936 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -59.64 -16.68 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.786 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -15.35 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.878 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.25 83.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -44.96 -36.53 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -68.23 -44.76 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.52 110.847 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.47 54.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 120.73 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.4 111.135 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -78.67 103.92 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.96 -16.49 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.943 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.79 10.29 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -120.63 -14.47 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.13 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -119.13 -12.64 9.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.843 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -62.02 -53.38 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.75 -36.47 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -77.27 -5.18 48.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.873 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.48 -11.5 51.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.506 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.6 -32.1 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 72.44 110.922 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.95 120.06 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.88 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.776 0.322 . . . . 73.51 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 61.43 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.48 -19.72 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -16.33 68.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.464 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 -7.53 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 72.41 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -19.29 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.915 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.98 -34.38 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.877 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -89.76 74.78 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.806 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -74.58 -61.91 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.33 110.914 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.81 -15.53 36.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.625 2.217 . . . . 71.03 112.374 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mp -89.8 -48.39 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 72.52 110.927 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -80.33 -11.18 59.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.61 -73.5 1.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 75.34 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -27.72 16.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 73.5 110.952 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.63 0.76 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.686 -0.768 . . . . 74.21 112.518 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.488 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.873 0.368 . . . . 75.14 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -2.75 36.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.888 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -20.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.112 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -14.54 18.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 74.3 111.081 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -33.35 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.147 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pt -60.19 -28.53 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.13 111.119 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -6.96 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -11.17 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.934 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.8 -4.09 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.857 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 74.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -49.6 -35.62 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.919 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -39.89 95.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.859 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 120.82 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 74.35 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -47.9 129.04 14.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.208 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.27 23.29 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.781 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -55.62 -23.54 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.82 25.11 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.949 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -120.73 -51.9 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 73.34 110.815 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -119.59 -28.15 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.846 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -76.05 -20.01 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.881 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -120.47 -46.99 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -96.38 9.7 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.854 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.8 -21.5 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 64.23 112.545 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.65 -24.42 63.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 73.45 110.858 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 73.24 111.149 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.92 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.856 0.36 . . . . 71.4 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.39 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.108 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -12.85 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.836 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.86 -13.05 83.83 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.13 112.472 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -4.92 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 72.21 110.886 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -106.77 -27.68 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -120.66 -48.11 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.67 68.43 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.908 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.7 -62.46 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 72.51 110.846 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.74 -23.25 31.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.746 2.297 . . . . 72.35 112.279 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -64.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 62.31 110.905 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -18.36 58.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.933 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.95 -88.55 2.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 73.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -51.05 -46.84 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.11 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.95 58.41 4.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.815 -0.707 . . . . 74.4 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.783 -0.722 . . . . 64.12 112.484 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.872 0.367 . . . . 74.52 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.34 0.19 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 75.2 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.85 -8.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.42 111.173 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 1.89 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 75.5 111.144 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.45 -27.81 4.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 63.14 111.124 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -22.46 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.54 1.88 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.88 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.91 -58.06 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.895 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.57 -0.98 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.949 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.37 75.96 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.876 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -121.21 -76.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 21.84 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.06 120.93 43.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.938 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -7.76 55.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.01 111.134 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -39.57 115.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.881 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -76.86 -1.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.55 110.935 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -49.68 -25.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -48.8 -61.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.827 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -103.05 -32.64 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 74.12 110.826 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -18.4 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.5 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -70.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.866 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.68 -9.96 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.841 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.46 -35.49 5.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 74.32 112.489 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -21.91 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 74.41 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -71.18 -33.13 69.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.22 111.144 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 71.23 110.977 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.845 0.355 . . . . 73.41 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 83.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -18.0 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.914 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -16.78 71.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 73.51 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -8.65 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 75.45 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.33 -23.51 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.954 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -37.21 3.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.835 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.14 65.7 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -77.85 -59.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 73.5 110.972 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.5 Cg_endo -69.81 -8.09 22.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 71.14 112.33 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.06 -71.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -19.08 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.939 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.54 -83.49 1.52 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 61.25 112.511 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.16 -53.1 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 65.32 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.53 93.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 64.12 112.51 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 70.33 112.423 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.841 0.353 . . . . 74.42 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -0.59 37.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.23 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.2 -10.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.1 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.24 1.69 14.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 71.33 111.132 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.69 -33.28 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.145 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -29.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 72.4 111.17 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -3.61 22.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -24.43 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.828 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.01 -29.1 56.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.898 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.62 26.72 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -58.9 -23.57 61.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -83.82 4.8 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.936 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 tp -80.05 -75.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 75.53 110.966 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.86 -85.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.133 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.17 103.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 63.41 110.818 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -24.63 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -13.15 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.953 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -80.44 -23.32 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.917 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 -34.39 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.852 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.2 -21.05 43.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.819 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -120.32 -52.65 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.922 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.62 11.67 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.48 -17.39 8.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 65.05 112.504 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.01 -30.64 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.954 0.407 . . . . 72.13 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.36 107.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 73.04 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.908 0.385 . . . . 71.3 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.77 102.86 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 74.01 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -118.52 -17.88 9.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 73.53 110.835 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.76 -16.69 72.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.767 -0.73 . . . . 60.25 112.46 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -122.18 -8.36 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.03 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -99.69 -21.15 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.42 110.904 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.01 -28.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.856 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -73.5 76.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 73.32 110.948 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -75.17 -61.14 1.04 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 71.44 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.75 -7.8 21.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.258 . . . . 72.44 112.283 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.12 -70.0 0.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 75.55 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -69.49 -11.61 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.872 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.93 -120.15 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 70.32 112.506 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -1.38 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.04 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.34 83.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.478 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.822 -0.704 . . . . 52.23 112.493 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 75.42 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.5 2.88 10.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.956 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -29.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.121 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -4.79 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.099 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.01 -22.19 5.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 75.2 111.134 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -39.82 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.166 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -84.22 -15.89 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 61.41 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -89.19 -12.91 39.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.3 0.16 42.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.953 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.95 73.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -54.7 -27.15 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.86 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -26.47 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.888 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp -49.01 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.961 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -117.69 -98.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.117 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -124.95 -91.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.888 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -125.64 100.91 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 75.03 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.32 9.1 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.953 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -121.34 -34.65 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.966 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -43.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 74.54 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -7.07 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 71.4 110.867 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -120.17 -63.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.12 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -93.63 13.34 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.5 -11.76 11.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 70.13 112.493 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.39 -20.05 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 74.44 110.964 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -51.24 -33.25 27.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 75.41 111.171 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.925 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 62.55 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.21 66.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.14 111.11 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -120.72 -11.94 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.52 -11.69 84.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 70.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.63 -18.45 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 75.22 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -29.47 52.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -116.84 -25.14 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 44.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -72.8 -59.55 2.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.53 0.681 . . . . 72.13 110.847 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.72 -15.0 37.03 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.651 2.234 . . . . 74.45 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.64 -76.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.871 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -24.45 50.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.901 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.63 -84.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 64.43 112.532 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -102.06 -19.58 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 74.44 110.861 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.92 60.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 73.13 112.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 64.21 112.458 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 72.32 110.941 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.15 4.64 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 65.4 110.827 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.24 -40.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 74.13 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 -2.99 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 75.4 111.134 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.35 -20.06 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.11 111.222 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -38.81 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 75.25 111.09 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.27 -17.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.802 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -10.37 58.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.949 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -75.05 -5.64 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.967 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.05 72.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 74.51 110.828 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 -32.65 40.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.864 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -33.6 74.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 72.03 110.923 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.85 -77.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 119.42 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.146 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -119.29 -15.7 9.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.07 48.35 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.92 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -124.13 8.13 8.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -121.86 -58.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.35 10.75 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.44 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -86.36 -50.9 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.01 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -121.23 -33.62 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.896 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.81 -2.58 58.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.56 -32.81 23.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -20.09 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 74.23 110.862 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -53.42 -33.28 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.091 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.31 110.903 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 71.44 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.54 89.09 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 70.2 111.123 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -117.41 -21.28 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -17.12 63.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 44.54 112.5 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -122.26 -7.42 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.12 110.915 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -18.97 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -31.21 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.909 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -70.97 81.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.81 -62.37 0.63 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.68 0.753 . . . . 74.32 110.891 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.7 Cg_endo -69.72 -23.49 30.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.272 . . . . 74.24 112.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -75.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.35 -17.32 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.75 -79.02 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 52.31 112.496 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -39.71 86.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 74.45 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -23.92 75.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 74.2 112.501 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 75.2 112.548 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.85 0.357 . . . . 73.42 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.84 -2.33 15.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 73.22 110.862 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.69 -21.52 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 72.51 111.155 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -105.85 -7.61 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 72.01 111.191 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -25.4 8.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -38.22 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.17 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -14.52 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.832 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.07 -13.54 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.54 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.27 -4.11 34.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.912 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 83.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.855 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -45.89 -35.33 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -65.97 -43.09 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.924 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.41 110.39 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.891 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' THR . . . . . 0.438 ' CG2' ' H ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -52.27 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.145 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.438 ' H ' ' CG2' ' B' ' 15' ' ' THR . 0.1 OUTLIER -126.98 6.62 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.799 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -33.12 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.41 19.62 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.901 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -120.75 -34.81 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.843 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -116.49 -43.07 2.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.803 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -3.26 43.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.858 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -118.99 -65.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -82.94 2.21 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 71.04 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.58 -19.13 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 75.41 112.537 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.41 -26.18 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.907 0.384 . . . . 74.33 110.928 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 p -54.96 -41.3 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 74.45 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 64.32 110.96 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.805 0.336 . . . . 70.41 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.69 62.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.176 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -8.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 75.1 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.92 -5.69 67.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 75.32 112.487 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.49 -2.04 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 74.24 110.935 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.03 -10.34 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.85 -26.61 15.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.844 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -80.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.853 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -124.78 134.91 26.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.57 0.7 . . . . 73.44 110.922 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 32.57 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.718 2.279 . . . . 63.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 9' ' ' CYS . 27.1 mt -122.86 -35.3 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.21 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.0 -14.93 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.72 -89.57 1.28 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.829 -0.701 . . . . 72.34 112.486 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -59.25 -21.05 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 73.23 110.912 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.01 -28.13 24.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 70.43 112.501 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.475 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.785 0.326 . . . . 75.21 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -116.78 4.2 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.872 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.96 -33.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.113 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -1.85 48.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 55.54 111.11 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.12 -29.28 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -41.48 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 65.12 111.13 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.77 -2.5 27.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.809 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.88 6.49 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 74.3 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -88.46 -33.95 17.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.2 110.93 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -53.08 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.924 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -53.01 -37.55 61.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -121.47 55.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.06 -33.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 72.1 110.946 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.43 121.74 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.182 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -89.38 35.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 73.35 110.852 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -120.19 -30.45 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.85 22.92 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -115.95 -37.8 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.92 -32.66 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.856 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -11.45 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.855 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -120.28 -61.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.928 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.29 5.38 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.32 -24.47 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.36 -27.11 34.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.046 0.45 . . . . 72.32 110.954 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -52.28 -41.02 62.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 73.23 111.235 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.892 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 75.33 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.03 101.59 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.15 111.11 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.38 -9.46 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 75.35 110.867 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.91 -4.23 69.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 71.15 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -121.33 -8.83 9.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 74.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 -14.57 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.887 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -36.52 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -70.78 80.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 63.54 110.887 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -78.27 -62.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 65.52 110.913 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 -26.0 28.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 62.31 112.36 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -75.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.875 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -19.38 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.85 -81.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 72.2 112.445 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -11.53 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 72.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.93 -28.66 25.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 74.45 112.527 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 75.43 112.515 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 73.41 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.2 -28.9 6.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.97 -36.82 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.0 -21.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 73.43 111.1 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 -32.34 22.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.15 111.1 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -78.25 -31.77 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.52 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -78.19 -21.5 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.849 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.52 -24.48 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.909 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -88.43 -1.93 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.89 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.17 81.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -29.02 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -72.22 -35.13 68.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -79.43 120.1 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.9 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 109.73 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.159 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -120.04 107.13 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.05 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 -9.35 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.55 110.86 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.72 -6.24 49.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -83.51 -25.86 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.889 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -27.8 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.861 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -89.32 -22.69 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -48.45 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.45 110.915 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -93.91 5.31 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.91 -37.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.444 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -20.41 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 74.44 110.905 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -50.85 -32.24 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.133 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.04 19.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.946 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.898 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 70.02 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.0 76.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 63.34 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -119.87 -19.88 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -18.32 63.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 70.14 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.64 2.13 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.354 . . . . 72.21 110.918 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -118.34 -10.93 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.958 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.34 -28.48 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.817 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -86.6 -82.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.883 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.504 ' C ' ' H ' ' A' ' 11' ' ' LEU . 72.3 m -125.56 134.32 25.71 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.66 0.743 . . . . 63.41 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 32.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 73.04 112.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.3 pp -122.95 -35.0 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.948 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.18 -13.84 60.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.81 -54.58 2.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -85.16 -36.04 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 75.5 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.96 -73.55 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 74.13 112.529 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.527 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 73.04 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -96.94 50.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.34 110.884 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -120.68 -9.39 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 71.35 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.19 -33.22 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.091 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.34 -5.68 39.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 70.54 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.4 -18.8 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 74.43 111.155 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -38.75 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.172 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -16.36 59.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.891 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -9.74 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.88 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -2.39 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.855 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.04 74.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -51.54 -35.25 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.801 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -60.91 -34.54 74.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -93.09 -75.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 74.45 110.916 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 112.93 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 74.44 111.168 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -67.26 -76.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.83 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.42 93.03 4.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.847 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -121.18 -16.17 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -92.92 -28.14 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -27.13 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.924 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -18.69 22.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.904 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.44 -48.63 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.824 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -101.36 12.45 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.827 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.49 -15.67 52.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 64.14 112.465 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -25.66 58.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 75.13 110.925 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -52.69 -33.66 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.41 111.155 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -32.31 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.983 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 75.45 110.836 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.929 0.395 . . . . 74.14 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.02 87.02 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 64.22 111.122 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -119.45 -20.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.82 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.09 -19.48 61.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.507 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -121.8 -8.02 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 73.14 110.924 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -98.95 -19.68 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.88 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -36.77 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.61 74.81 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 74.35 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.58 -62.28 0.81 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 74.44 110.937 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.8 -8.22 23.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.67 2.246 . . . . 73.2 112.348 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 -69.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.942 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.867 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -109.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 65.15 112.525 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -17.67 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.41 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.29 -25.01 60.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 64.4 112.503 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 74.13 112.511 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.793 0.33 . . . . 71.52 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -104.96 81.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 75.04 110.907 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.94 -2.14 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 72.41 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.67 -31.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.33 111.113 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -96.92 2.44 51.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 64.32 111.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.84 -31.17 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 63.35 111.163 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 pt -56.1 -34.68 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 72.53 111.195 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -11.5 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.833 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -18.94 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.89 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.5 -16.32 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.968 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.62 72.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.892 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -35.2 80.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -33.44 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.24 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -75.8 -69.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 74.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.5 120.03 36.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 73.01 111.198 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.7 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 65.1 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -96.35 99.42 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.53 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.66 -11.35 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.859 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.29 -22.02 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.97 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -110.19 -47.24 3.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.907 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -78.77 -11.23 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -120.37 -58.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -92.87 10.66 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.55 110.873 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.31 -26.37 2.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 63.32 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.16 -27.32 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.375 . . . . 73.4 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -52.48 -33.54 45.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.123 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.82 -29.01 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.887 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 64.52 110.887 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.372 . . . . 65.42 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.27 93.94 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 74.54 111.125 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -118.84 -20.55 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.857 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.09 61.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 51.13 112.504 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -6.25 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 110.863 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -103.76 -18.31 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 64.4 110.926 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -32.65 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.853 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.7 82.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.25 -60.91 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 74.45 110.88 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.6 Cg_endo -69.72 -16.87 37.94 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.687 2.258 . . . . 70.13 112.324 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -87.57 -69.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -68.92 -15.48 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 75.51 110.923 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.66 -114.3 2.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -30.2 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 74.53 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.56 -27.63 27.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 60.13 112.462 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 73.34 112.481 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.83 0.348 . . . . 65.13 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -106.76 65.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.948 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -120.89 -31.57 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 73.31 110.842 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.93 -33.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -90.95 -0.47 57.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 62.31 111.143 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.05 -25.72 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.149 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -41.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.35 -13.56 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.01 110.862 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -90.42 -17.08 27.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.866 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -75.14 -5.87 46.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -73.77 71.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.866 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -26.63 38.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.846 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -67.23 -29.0 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.16 -78.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.888 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.63 120.33 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.185 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -121.05 14.14 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -100.32 -32.39 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.31 26.94 2.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.875 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -121.17 -43.61 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -113.89 -31.42 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.91 -12.88 54.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.806 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -120.96 -59.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -92.73 12.16 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.34 35.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 51.03 112.473 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -22.86 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 75.21 110.842 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.21 119.4 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.41 111.164 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.49 81.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.961 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 73.11 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 91.79 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.05 -20.09 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.834 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.51 -16.91 65.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.503 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -5.68 9.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 74.34 110.964 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -105.32 -14.46 15.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.03 110.922 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.74 -36.24 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -76.38 72.19 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.932 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.43 -61.85 1.33 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 73.34 110.881 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.81 -12.64 33.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 72.2 112.381 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.9 -69.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 73.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.36 -12.92 61.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 70.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -79.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 61.32 112.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -18.51 48.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 74.32 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.38 80.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 75.12 112.463 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 71.31 112.481 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 71.13 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -94.76 23.64 5.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.878 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -120.17 -9.96 9.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.13 -26.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -4.73 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.12 111.201 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.58 -28.45 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 70.23 111.119 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -39.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.3 1.2 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.943 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -110.08 11.46 23.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.884 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.83 4.79 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.835 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.27 -24.3 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.796 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -55.84 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 72.04 110.926 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -122.47 28.99 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.888 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -120.46 121.88 39.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.4 -68.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.173 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -78.44 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.829 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.85 80.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.87 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.86 -14.77 8.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.66 -17.3 27.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.85 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -120.72 -33.46 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 70.3 110.842 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -17.27 29.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -120.17 -49.12 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.84 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.03 12.48 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.932 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.73 -20.03 11.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 64.45 112.432 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -30.09 22.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.849 0.357 . . . . 71.42 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -51.77 -33.42 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 73.35 111.158 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 tp -108.14 -33.46 7.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.919 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 74.43 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.04 84.32 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.137 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.31 -19.58 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.49 -14.98 70.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.1 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 -8.15 8.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 74.03 110.921 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -17.43 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.901 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -29.01 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 75.25 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -81.71 65.5 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.98 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.481 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -73.22 -61.6 1.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 72.23 110.911 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.8 -10.87 29.58 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.629 2.219 . . . . 74.12 112.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -98.37 -73.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.943 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -68.56 -11.81 60.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.885 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 73.13 112.551 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.15 -48.98 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 74.05 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.36 60.29 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 52.25 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 73.43 112.491 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mptt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.822 0.344 . . . . 74.54 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -113.91 23.9 12.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.54 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.95 -12.4 60.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.31 -14.63 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.102 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -0.02 21.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.143 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.17 -31.77 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.102 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -39.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 63.41 111.166 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -16.76 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 75.34 110.827 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -16.26 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.824 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.49 -18.38 51.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 65.12 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.96 74.41 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -31.14 32.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.821 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -66.44 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.944 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.23 120.46 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -50.21 -33.28 18.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -60.4 99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.856 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -110.29 2.58 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.858 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -24.36 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.916 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -73.24 -75.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptt-85 -57.58 -20.95 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 74.25 110.851 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -47.16 -64.99 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.793 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -120.52 -29.5 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -82.25 1.55 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.07 -16.98 60.06 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.731 . . . . 71.33 112.548 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.38 -25.79 50.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.989 0.423 . . . . 74.25 110.906 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -51.74 -33.13 33.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 75.11 111.131 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -75.82 -74.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.899 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.877 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.842 0.353 . . . . 65.02 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 86.12 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 72.32 111.059 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -118.38 -20.62 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.33 110.851 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -18.16 65.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.719 -0.753 . . . . 61.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -8.46 9.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.806 0.336 . . . . 75.12 110.919 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.8 -19.04 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.894 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -39.01 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 64.23 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.29 76.34 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.885 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.13 -62.25 0.61 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.527 0.68 . . . . 74.14 110.9 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.3 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 74.31 112.387 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.7 -67.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.3 110.932 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -17.92 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.915 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.18 -108.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.2 112.512 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -94.72 -7.73 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 72.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.08 -27.99 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.454 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 55.41 112.512 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 71.02 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.24 43.9 1.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 74.14 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -117.5 12.55 14.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.93 -34.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.42 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -2.89 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.34 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.62 -22.68 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.51 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 75.32 111.108 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -16.69 52.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.13 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.18 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.893 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -9.79 55.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.883 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.21 74.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.887 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -50.82 -34.22 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.811 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -37.16 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.73 120.51 39.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.85 103.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 75.34 111.226 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -120.76 31.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.818 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -81.19 52.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 73.34 110.862 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 -16.93 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 73.02 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -91.72 -60.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.898 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -72.13 -12.99 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -65.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.801 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.75 -24.9 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 64.44 110.824 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -89.44 5.95 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.76 -12.6 74.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 62.12 112.431 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.08 -26.12 48.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 74.33 110.898 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -54.8 -33.35 61.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 74.32 111.213 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -109.77 -26.98 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.15 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.885 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 75.03 111.119 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.32 84.2 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -118.75 -18.87 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.23 110.927 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -17.08 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 74.41 112.455 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.77 -8.26 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 74.12 110.879 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -105.51 -23.49 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.936 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -44.94 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.848 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.43 62.59 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 65.3 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -78.6 -62.69 0.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.13 110.891 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.2 Cg_endo -69.74 -7.26 20.61 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 73.42 112.417 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.49 -76.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -21.9 63.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 71.34 110.827 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.68 -92.85 1.76 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.498 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -46.82 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 70.13 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.31 58.56 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 73.2 112.605 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.671 -0.776 . . . . 70.04 112.43 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 72.34 110.964 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -95.31 23.75 5.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.953 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.55 -37.8 77.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.41 110.844 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.1 7.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.102 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.39 6.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.79 -33.85 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.129 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.62 -34.46 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.083 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.0 -17.08 56.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.936 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -59.64 -16.68 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.786 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -15.35 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.878 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.25 83.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -44.96 -36.53 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -68.23 -44.76 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.52 110.847 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.47 54.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 120.73 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.4 111.135 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -78.67 103.92 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.96 -16.49 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.943 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.79 10.29 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -120.63 -14.47 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.13 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -119.13 -12.64 9.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.843 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -62.02 -53.38 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.75 -36.47 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -77.27 -5.18 48.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.873 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.48 -11.5 51.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.506 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.6 -32.1 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 72.44 110.922 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.95 120.06 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.97 -32.47 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.776 0.322 . . . . 73.51 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 61.43 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.48 -19.72 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -16.33 68.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.464 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 -7.53 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 72.41 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -19.29 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.915 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.98 -34.38 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.877 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -89.76 74.78 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.806 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -74.58 -61.91 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.33 110.914 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.81 -15.53 36.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.625 2.217 . . . . 71.03 112.374 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mp -89.8 -48.39 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 72.52 110.927 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -80.33 -11.18 59.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.61 -73.5 1.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 75.34 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -27.72 16.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 73.5 110.952 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.63 0.76 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.686 -0.768 . . . . 74.21 112.518 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.488 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.773 0.32 . . . . 74.35 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -84.78 4.07 34.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.296 -0.411 . . . . 75.14 110.893 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -2.75 36.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.888 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -20.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.112 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -14.54 18.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 74.3 111.081 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -33.35 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.147 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pt -60.19 -28.53 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.13 111.119 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -6.96 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -11.17 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.934 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.8 -4.09 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.857 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 74.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -49.6 -35.62 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.53 110.919 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -39.89 95.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.859 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 120.82 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 74.35 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -47.9 129.04 14.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.208 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.27 23.29 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.781 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -55.62 -23.54 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.82 25.11 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.949 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -120.73 -51.9 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 73.34 110.815 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -119.59 -28.15 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.846 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -76.05 -20.01 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.881 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -120.47 -46.99 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -96.38 9.7 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.854 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.8 -21.5 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 64.23 112.545 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.65 -24.42 63.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 73.45 110.858 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 73.24 111.149 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.59 -30.72 8.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.856 0.36 . . . . 71.4 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.39 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.108 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -12.85 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.836 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.86 -13.05 83.83 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.13 112.472 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -4.92 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 72.21 110.886 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -106.77 -27.68 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -120.66 -48.11 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.67 68.43 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.908 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.7 -62.46 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 72.51 110.846 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.74 -23.25 31.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.746 2.297 . . . . 72.35 112.279 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -64.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 62.31 110.905 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -18.36 58.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.933 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.95 -88.55 2.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 73.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -51.05 -46.84 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.11 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.95 58.41 4.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.815 -0.707 . . . . 74.4 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.783 -0.722 . . . . 64.12 112.484 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.765 0.317 . . . . 75.02 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 -0.15 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.927 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.34 0.19 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 75.2 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.85 -8.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.42 111.173 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 1.89 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 75.5 111.144 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.45 -27.81 4.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 63.14 111.124 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -22.46 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.54 1.88 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.88 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.91 -58.06 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.895 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.57 -0.98 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.949 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.37 75.96 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.876 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -121.21 -76.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 21.84 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.06 120.93 43.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.938 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -7.76 55.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.01 111.134 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -39.57 115.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.881 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -76.86 -1.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.55 110.935 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -49.68 -25.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -48.8 -61.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.827 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -103.05 -32.64 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 74.12 110.826 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -18.4 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.5 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -70.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.866 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.68 -9.96 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.841 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.46 -35.49 5.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 74.32 112.489 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -21.91 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 74.41 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -71.18 -33.13 69.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.22 111.144 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -30.04 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 71.23 110.977 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.807 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.845 0.355 . . . . 73.41 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 83.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -18.0 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.914 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -16.78 71.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 73.51 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -8.65 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 75.45 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.33 -23.51 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.954 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -37.21 3.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.835 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.14 65.7 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -77.85 -59.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 73.5 110.972 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.5 Cg_endo -69.81 -8.09 22.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 71.14 112.33 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.06 -71.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -19.08 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.939 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.54 -83.49 1.52 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 61.25 112.511 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.16 -53.1 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 65.32 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.53 93.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 64.12 112.51 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 70.33 112.423 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.785 0.326 . . . . 74.42 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -98.57 26.51 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -0.59 37.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.23 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.2 -10.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.1 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.24 1.69 14.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 71.33 111.132 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.69 -33.28 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.145 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.41 -29.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 72.4 111.17 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -3.61 22.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -24.43 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.828 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.01 -29.1 56.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.898 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.62 26.72 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -58.9 -23.57 61.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -83.82 4.8 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.936 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 tp -80.05 -75.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 75.53 110.966 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.86 -85.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.133 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.17 103.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 63.41 110.818 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -24.63 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -13.15 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.953 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -80.44 -23.32 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.917 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 -34.39 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.852 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.2 -21.05 43.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.819 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -120.32 -52.65 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.922 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.62 11.67 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.48 -17.39 8.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 65.05 112.504 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.01 -30.64 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.954 0.407 . . . . 72.13 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.36 107.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 73.04 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.38 -26.09 7.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.904 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.908 0.385 . . . . 71.3 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.77 102.86 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 74.01 111.105 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -118.52 -17.88 9.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 73.53 110.835 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.76 -16.69 72.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.767 -0.73 . . . . 60.25 112.46 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -122.18 -8.36 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.03 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -99.69 -21.15 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.42 110.904 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.01 -28.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.856 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -73.5 76.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 73.32 110.948 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -75.17 -61.14 1.04 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 71.44 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.75 -7.8 21.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.258 . . . . 72.44 112.283 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.12 -70.0 0.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 75.55 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -69.49 -11.61 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.872 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.93 -120.15 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 70.32 112.506 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -1.38 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.04 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.34 83.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.478 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.822 -0.704 . . . . 52.23 112.493 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 72.12 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.17 64.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.5 2.88 10.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.956 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -29.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.121 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -4.79 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.099 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.01 -22.19 5.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 75.2 111.134 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -39.82 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.166 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -84.22 -15.89 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 61.41 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -89.19 -12.91 39.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.3 0.16 42.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.953 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.95 73.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -54.7 -27.15 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.86 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -26.47 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.888 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp -49.01 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.961 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -117.69 -98.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.117 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -124.95 -91.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.888 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -125.64 100.91 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 75.03 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.32 9.1 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.953 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -121.34 -34.65 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.966 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -43.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 74.54 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -7.07 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 71.4 110.867 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -120.17 -63.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.12 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -93.63 13.34 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.5 -11.76 11.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 70.13 112.493 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.39 -20.05 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 74.44 110.964 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -51.24 -33.25 27.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 75.41 111.171 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.86 -28.33 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 62.55 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.21 66.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.14 111.11 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -120.72 -11.94 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.52 -11.69 84.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 70.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.63 -18.45 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 75.22 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -29.47 52.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -116.84 -25.14 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 44.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -72.8 -59.55 2.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.53 0.681 . . . . 72.13 110.847 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.72 -15.0 37.03 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.651 2.234 . . . . 74.45 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.64 -76.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.871 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -24.45 50.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.45 110.901 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.63 -84.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 64.43 112.532 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -102.06 -19.58 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 74.44 110.861 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.92 60.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 73.13 112.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 64.21 112.458 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.752 0.31 . . . . 71.22 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.34 51.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.941 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.15 4.64 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 65.4 110.827 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.24 -40.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 74.13 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 -2.99 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 75.4 111.134 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.35 -20.06 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.11 111.222 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -38.81 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 75.25 111.09 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.27 -17.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.802 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -10.37 58.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.949 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -75.05 -5.64 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.967 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.05 72.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 74.51 110.828 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 -32.65 40.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.864 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -33.6 74.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 72.03 110.923 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.85 -77.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.74 119.42 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.146 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -119.29 -15.7 9.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.07 48.35 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.92 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -124.13 8.13 8.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -121.86 -58.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.35 10.75 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.44 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -86.36 -50.9 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.01 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -121.23 -33.62 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.896 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.81 -2.58 58.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.56 -32.81 23.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -20.09 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 74.23 110.862 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -53.42 -33.28 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.091 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.79 -31.64 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.31 110.903 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.861 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 71.44 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.54 89.09 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 70.2 111.123 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -117.41 -21.28 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -17.12 63.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 44.54 112.5 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -122.26 -7.42 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.12 110.915 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -18.97 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -31.21 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.909 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -70.97 81.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.81 -62.37 0.63 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.68 0.753 . . . . 74.32 110.891 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.7 Cg_endo -69.72 -23.49 30.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.272 . . . . 74.24 112.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -75.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.35 -17.32 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.75 -79.02 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 52.31 112.496 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -39.71 86.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 74.45 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -23.92 75.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 74.2 112.501 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 75.2 112.548 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 75.03 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -107.98 82.11 1.59 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 73.42 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.84 -2.33 15.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 73.22 110.862 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.69 -21.52 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 72.51 111.155 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -105.85 -7.61 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 72.01 111.191 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -25.4 8.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -38.22 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.17 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -14.52 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.832 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.07 -13.54 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.54 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.27 -4.11 34.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.912 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 83.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.855 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -45.89 -35.33 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -65.97 -43.09 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.924 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.41 110.39 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.891 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.438 ' CG2' ' H ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -52.27 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.145 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.438 ' H ' ' CG2' ' B' ' 15' ' ' THR . 0.1 OUTLIER -126.98 6.62 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.799 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -33.12 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.41 19.62 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.901 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -120.75 -34.81 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.843 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -116.49 -43.07 2.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.803 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -3.26 43.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.858 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -118.99 -65.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -82.94 2.21 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 71.04 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.58 -19.13 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 75.41 112.537 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.41 -26.18 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.907 0.384 . . . . 74.33 110.928 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 p -54.96 -41.3 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 74.45 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.17 -26.9 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 64.32 110.96 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.834 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.805 0.336 . . . . 70.41 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.69 62.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.176 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -8.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 75.1 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.92 -5.69 67.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 75.32 112.487 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.49 -2.04 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 74.24 110.935 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.03 -10.34 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.85 -26.61 15.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.844 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -80.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.853 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -124.78 134.91 26.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.57 0.7 . . . . 73.44 110.922 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 32.57 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.718 2.279 . . . . 63.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 9' ' ' CYS . 27.1 mt -122.86 -35.3 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.21 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.0 -14.93 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.72 -89.57 1.28 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.829 -0.701 . . . . 72.34 112.486 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -59.25 -21.05 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 73.23 110.912 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.01 -28.13 24.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 70.43 112.501 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.475 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 73.45 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -106.85 63.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.89 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -116.78 4.2 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.872 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.96 -33.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.113 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -1.85 48.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 55.54 111.11 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.12 -29.28 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -41.48 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 65.12 111.13 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.77 -2.5 27.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.809 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.88 6.49 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 74.3 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -88.46 -33.95 17.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.2 110.93 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -53.08 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.924 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -53.01 -37.55 61.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -121.47 55.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.06 -33.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 72.1 110.946 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.43 121.74 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.182 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -89.38 35.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 73.35 110.852 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -120.19 -30.45 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.85 22.92 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -115.95 -37.8 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.92 -32.66 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.856 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -11.45 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.855 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -120.28 -61.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.928 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.29 5.38 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.32 -24.47 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.36 -27.11 34.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.046 0.45 . . . . 72.32 110.954 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -52.28 -41.02 62.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 73.23 111.235 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.36 86.52 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.892 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.888 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 72.34 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.03 101.59 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.15 111.11 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.38 -9.46 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.867 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.91 -4.23 69.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -121.33 -8.83 9.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 74.31 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 -14.57 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.887 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -36.52 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.723 ' CD ' HD13 ' A' ' 11' ' ' LEU . 37.2 mmtt -70.78 80.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.887 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -78.27 -62.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 60.33 110.913 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 -26.0 28.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 52.1 112.36 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD13 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.8 -75.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.875 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -19.38 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 62.52 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.85 -81.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 64.15 112.445 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -11.53 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 72.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.93 -28.66 25.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 74.45 112.527 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 73.55 112.515 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.851 0.358 . . . . 73.24 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.97 -36.82 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.0 -21.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 71.32 111.1 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 55.13 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 -32.34 22.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.15 111.1 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -78.25 -31.77 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.52 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' HIS . . . . . 0.533 ' HB3' HD22 ' B' ' 14' ' ' LEU . 2.4 m-70 -78.19 -21.5 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.849 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.52 -24.48 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.909 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.1 pp -88.43 -1.93 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.89 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.17 81.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -29.02 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -72.22 -35.13 68.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.22 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' B' ' 8' ' ' HIS . 6.0 tt -79.43 120.1 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 109.73 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.159 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -120.04 107.13 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.05 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 -9.35 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.86 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.72 -6.24 49.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -83.51 -25.86 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.889 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -27.8 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.861 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -89.32 -22.69 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -48.45 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.915 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -93.91 5.31 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.91 -37.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 71.52 112.444 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -20.41 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 72.04 110.905 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -50.85 -32.24 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 71.14 111.133 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.45 110.946 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 53.03 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.0 76.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -119.87 -19.88 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -18.32 63.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 63.35 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.64 2.13 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.354 . . . . 72.21 110.918 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -118.34 -10.93 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 73.01 110.958 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.34 -28.48 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.817 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -86.6 -82.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.883 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LEU . 72.3 m -125.56 134.32 25.71 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.66 0.743 . . . . 63.41 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 32.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 55.25 112.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.3 pp -122.95 -35.0 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.948 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.18 -13.84 60.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.04 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.81 -54.58 2.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -85.16 -36.04 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 75.31 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.96 -73.55 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 74.13 112.529 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 65.53 112.527 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.8 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.875 0.369 . . . . 75.23 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -120.68 -9.39 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 71.35 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.19 -33.22 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.091 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.34 -5.68 39.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 54.42 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.4 -18.8 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 72.25 111.155 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.641 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.47 -38.75 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.172 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -16.36 59.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 63.31 110.891 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -9.74 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.88 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.641 HD23 ' O ' ' B' ' 7' ' ' ILE . 0.6 OUTLIER -79.54 -2.39 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.855 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.04 74.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -51.54 -35.25 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.801 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -60.91 -34.54 74.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -93.09 -75.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.916 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.705 ' HB ' HD22 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.26 112.93 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 72.33 111.168 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -67.26 -76.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.83 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.42 93.03 4.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.847 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.705 HD22 ' HB ' ' B' ' 15' ' ' THR . 2.1 pt? -121.18 -16.17 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 64.41 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -92.92 -28.14 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -27.13 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.924 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -18.69 22.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.904 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.44 -48.63 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.824 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -101.36 12.45 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.827 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.49 -15.67 52.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 54.21 112.465 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -25.66 58.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 64.32 110.925 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -52.69 -33.66 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.41 111.155 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.983 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.929 0.395 . . . . 74.14 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.02 87.02 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 61.11 111.122 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -119.45 -20.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 63.12 110.82 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.09 -19.48 61.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.507 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -121.8 -8.02 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 73.14 110.924 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -98.95 -19.68 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 61.35 110.88 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -36.77 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.61 74.81 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 64.05 110.925 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.58 -62.28 0.81 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 74.44 110.937 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.3 Cg_endo -69.8 -8.22 23.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.67 2.246 . . . . 73.2 112.348 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 8' ' ' LYS . 5.5 mp -98.36 -69.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.942 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.867 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -109.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 60.42 112.525 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -17.67 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.41 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.29 -25.01 60.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 64.4 112.503 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 31.04 112.511 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.884 0.373 . . . . 63.21 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.94 -2.14 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 72.41 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.67 -31.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 111.113 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -96.92 2.44 51.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 21.41 111.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.84 -31.17 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 63.33 111.163 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 pt -56.1 -34.68 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 72.53 111.195 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -11.5 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.833 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -18.94 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.89 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.5 -16.32 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.968 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.62 72.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.892 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -35.2 80.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -33.44 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.24 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -75.8 -69.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.693 ' OG1' HD23 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -117.5 120.03 36.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 73.01 111.198 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.7 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 62.42 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -96.35 99.42 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.53 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.693 HD23 ' OG1' ' B' ' 15' ' ' THR . 0.3 OUTLIER -120.66 -11.35 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.859 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.29 -22.02 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.97 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -110.19 -47.24 3.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.907 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -78.77 -11.23 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -120.37 -58.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -92.87 10.66 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.55 110.873 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.31 -26.37 2.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 63.32 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.16 -27.32 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.375 . . . . 73.4 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -52.48 -33.54 45.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.123 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 61.3 110.887 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.372 . . . . 65.42 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' B' ' 26' ' ' THR . . . -76.27 93.94 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 44.52 111.125 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -118.84 -20.55 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.857 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.09 61.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 40.24 112.504 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -6.25 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 110.863 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 2' ' ' ALA . 1.3 mptp? -103.76 -18.31 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 64.4 110.926 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -32.65 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.853 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -71.7 82.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.45 110.924 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.25 -60.91 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 74.45 110.88 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.6 Cg_endo -69.72 -16.87 37.94 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.687 2.258 . . . . 51.33 112.324 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HG3' ' A' ' 8' ' ' LYS . 7.5 mt -87.57 -69.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 35.41 110.913 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -68.92 -15.48 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 75.51 110.923 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.66 -114.3 2.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 35.43 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -30.2 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 54.23 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.56 -27.63 27.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 60.13 112.462 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 73.34 112.481 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.876 0.369 . . . . 74.42 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -120.89 -31.57 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.842 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.93 -33.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -90.95 -0.47 57.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 43.02 111.143 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.05 -25.72 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.149 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.611 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -53.87 -41.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 53.2 111.134 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.35 -13.56 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.01 110.862 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.662 ' ND2' HD12 ' B' ' 18' ' ' LEU . 20.9 m120 -90.42 -17.08 27.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.611 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.1 pp -75.14 -5.87 46.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.591 ' HD2' HD12 ' B' ' 14' ' ' LEU . 1.1 m-85 -73.77 71.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -26.63 38.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.846 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -67.23 -29.0 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' B' ' 11' ' ' PHE . 11.5 mt -102.16 -78.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.888 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.735 ' CG2' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.63 120.33 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.185 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -121.05 14.14 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -100.32 -32.39 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' B' ' 15' ' ' THR . 0.2 OUTLIER -93.31 26.94 2.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 51.24 110.875 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -121.17 -43.61 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -113.89 -31.42 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.91 -12.88 54.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.806 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -120.96 -59.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -92.73 12.16 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.34 35.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 51.03 112.473 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -22.86 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 60.14 110.842 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -51.21 119.4 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.41 111.164 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.961 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 62.4 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 91.79 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 62.22 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.05 -20.09 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.834 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.51 -16.91 65.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.503 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -5.68 9.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 74.34 110.964 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -105.32 -14.46 15.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.922 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.74 -36.24 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mmtp -76.38 72.19 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.932 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.43 -61.85 1.33 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 71.43 110.881 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.81 -12.64 33.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 62.35 112.381 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 8' ' ' LYS . 3.0 mt -96.9 -69.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.888 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.36 -12.92 61.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 70.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -79.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 61.32 112.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -18.51 48.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 73.14 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.38 80.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 75.12 112.463 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 60.02 112.481 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.7 p90 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.892 0.377 . . . . 75.14 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -120.17 -9.96 9.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.13 -26.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -4.73 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.54 111.201 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.475 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -120.58 -28.45 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 70.23 111.119 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -39.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.3 1.2 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.943 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.616 ' O ' HD22 ' B' ' 14' ' ' LEU . 2.9 t-20 -110.08 11.46 23.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.884 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.475 HD22 ' O ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -120.83 4.79 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.835 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.27 -24.3 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.796 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -55.84 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 72.04 110.926 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.525 ' C ' HD12 ' B' ' 14' ' ' LEU . 5.2 pttp -122.47 28.99 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' B' ' 18' ' ' LEU . 8.5 mp -120.46 121.88 39.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.4 -68.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.173 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -78.44 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.829 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.85 80.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.87 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.656 ' HB2' HD23 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -119.86 -14.77 8.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.912 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.66 -17.3 27.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.85 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -120.72 -33.46 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.842 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -17.27 29.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.6 ' OD1' HD11 ' B' ' 14' ' ' LEU . 1.4 t30 -120.17 -49.12 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.84 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.03 12.48 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.932 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.73 -20.03 11.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 64.11 112.432 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -30.09 22.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.849 0.357 . . . . 71.42 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -51.77 -33.42 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.158 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.544 ' O ' HD12 ' B' ' 27' ' ' LEU . 4.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.14 110.972 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 74.43 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.04 84.32 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.137 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.31 -19.58 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.49 -14.98 70.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.1 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HZ3' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -122.6 -8.15 8.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 74.03 110.921 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -17.43 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.901 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -29.01 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 72.31 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' HD13 ' A' ' 11' ' ' LEU . 20.9 mmtp -81.71 65.5 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.98 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.481 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -73.22 -61.6 1.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 62.1 110.911 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.8 -10.87 29.58 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.629 2.219 . . . . 74.12 112.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD13 ' HD2' ' A' ' 8' ' ' LYS . 2.3 mt -98.37 -73.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -68.56 -11.81 60.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.885 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 73.13 112.551 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.15 -48.98 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 72.43 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.36 60.29 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 44.21 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 73.43 112.491 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.858 0.361 . . . . 74.22 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.95 -12.4 60.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.03 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.31 -14.63 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.102 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -0.02 21.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.143 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.17 -31.77 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.31 111.102 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.702 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.05 -39.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.42 111.166 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -16.76 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 75.34 110.827 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -16.26 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.824 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.702 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.4 pp -60.49 -18.38 51.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.96 74.41 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -31.14 32.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 62.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -66.44 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.944 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' B' ' 16' ' ' HIS . 23.2 tp -51.23 120.46 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -50.21 -33.28 18.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.698 ' CE1' HD11 ' B' ' 14' ' ' LEU . 5.5 m170 -60.4 99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.856 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -110.29 2.58 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.3 110.858 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.507 HD12 ' HZ3' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -53.66 -24.36 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 64.02 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -73.24 -75.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptt-85 -57.58 -20.95 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 72.04 110.851 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -47.16 -64.99 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.793 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -120.52 -29.5 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -82.25 1.55 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.07 -16.98 60.06 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.731 . . . . 71.14 112.548 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.38 -25.79 50.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.989 0.423 . . . . 74.25 110.906 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.574 HG23 HD12 ' B' ' 27' ' ' LEU . 7.0 t -51.74 -33.13 33.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 75.11 111.131 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.574 HD12 HG23 ' B' ' 26' ' ' THR . 3.6 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.899 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.842 0.353 . . . . 61.53 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 86.12 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 72.32 111.059 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -118.38 -20.62 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.851 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -18.16 65.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.719 -0.753 . . . . 31.13 112.462 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -121.3 -8.46 9.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.806 0.336 . . . . 64.01 110.919 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.8 -19.04 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.894 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -39.01 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 64.23 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.29 76.34 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.885 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.13 -62.25 0.61 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.527 0.68 . . . . 74.14 110.9 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.3 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 73.32 112.387 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.7 -67.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.932 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -17.92 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.915 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.18 -108.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 70.22 112.512 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -94.72 -7.73 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 72.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.08 -27.99 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.454 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 45.51 112.512 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.867 0.365 . . . . 73.15 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -117.5 12.55 14.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.93 -34.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.44 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -2.89 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.62 -22.68 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.579 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.51 -39.51 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.108 179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -16.69 52.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.18 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.893 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.579 HD22 ' O ' ' B' ' 7' ' ' ILE . 0.9 OUTLIER -69.59 -9.79 55.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.883 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.434 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.4 OUTLIER -73.21 74.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 71.14 110.887 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -50.82 -34.22 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.811 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -37.16 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 72.12 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.73 120.51 39.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.85 103.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.14 111.226 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -120.76 31.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.818 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -81.19 52.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 64.03 110.862 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -118.33 -16.93 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.885 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.59 ' N ' HD12 ' B' ' 18' ' ' LEU . 36.4 t80 -91.72 -60.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 63.2 110.898 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -72.13 -12.99 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -65.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.801 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.75 -24.9 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 64.44 110.824 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -89.44 5.95 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.76 -12.6 74.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 62.12 112.431 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.08 -26.12 48.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 72.14 110.898 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -54.8 -33.35 61.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 74.23 111.213 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.895 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.445 HG23 ' HG2' ' A' ' 3' ' ' ARG . 13.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 75.03 111.119 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.32 84.2 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 63.32 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' HG23 ' A' ' 1' ' ' VAL . 6.2 ptm180 -118.75 -18.87 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 60.41 110.927 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -17.08 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 25.31 112.455 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.77 -8.26 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 71.34 110.879 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -105.51 -23.49 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.936 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -44.94 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.848 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.43 62.59 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 54.02 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -78.6 -62.69 0.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.13 110.891 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.2 Cg_endo -69.74 -7.26 20.61 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 73.42 112.417 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.49 -76.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.32 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -21.9 63.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.827 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.68 -92.85 1.76 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.498 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -46.82 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 70.13 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.31 58.56 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 73.2 112.605 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.671 -0.776 . . . . 61.21 112.43 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 72.24 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' B' ' 7' ' ' ILE . 3.8 tt0 -69.55 -37.8 77.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.41 110.844 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.1 7.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.102 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.39 6.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.79 -33.85 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.129 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.689 ' O ' HD23 ' B' ' 10' ' ' LEU . 5.2 mp -96.62 -34.46 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.083 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.0 -17.08 56.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.936 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.554 ' O ' HG22 ' B' ' 15' ' ' THR . 30.3 t30 -59.64 -16.68 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.786 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.0 OUTLIER -61.8 -15.35 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 55.01 110.878 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.25 83.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -44.96 -36.53 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -68.23 -44.76 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.847 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.47 54.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 70.22 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 9' ' ' ASN . 0.6 OUTLIER -79.55 120.73 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.14 111.135 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -78.67 103.92 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.96 -16.49 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.943 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.79 10.29 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -120.63 -14.47 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 54.44 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -119.13 -12.64 9.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.843 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -62.02 -53.38 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 60.44 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.75 -36.47 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -77.27 -5.18 48.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.873 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.48 -11.5 51.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.506 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.6 -32.1 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 72.44 110.922 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER -63.95 120.06 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.144 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.88 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.776 0.322 . . . . 73.51 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 45.12 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.48 -19.72 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 63.12 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -16.33 68.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.464 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 -7.53 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 72.41 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -19.29 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.915 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.98 -34.38 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 73.12 110.877 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HG3' HD13 ' A' ' 11' ' ' LEU . 2.3 mptp? -89.76 74.78 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.806 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -74.58 -61.91 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.33 110.914 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.7 Cg_endo -69.81 -15.53 36.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.625 2.217 . . . . 71.03 112.374 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' HG2' ' A' ' 10' ' ' PRO . 5.6 mp -89.8 -48.39 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.927 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -80.33 -11.18 59.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.61 -73.5 1.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 40.13 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -27.72 16.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 63.14 110.952 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.63 0.76 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.686 -0.768 . . . . 74.21 112.518 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.488 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.873 0.368 . . . . 75.14 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -2.75 36.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.888 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.436 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -116.71 -20.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.112 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -14.54 18.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 74.3 111.081 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -33.35 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.147 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.556 ' O ' HD23 ' B' ' 10' ' ' LEU . 1.8 pt -60.19 -28.53 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.13 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -6.96 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -11.17 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.42 110.934 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.556 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.6 pp -76.8 -4.09 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.24 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 74.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -49.6 -35.62 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.919 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -39.89 95.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.859 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 120.82 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -47.9 129.04 14.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.208 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.27 23.29 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 54.41 110.781 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -55.62 -23.54 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.3 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.82 25.11 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 60.14 110.949 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -120.73 -51.9 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 73.34 110.815 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -119.59 -28.15 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.846 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -76.05 -20.01 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.881 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -120.47 -46.99 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 63.45 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -96.38 9.7 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.854 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.8 -21.5 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 64.23 112.545 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.65 -24.42 63.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 73.45 110.858 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 65.23 111.149 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 45.05 110.92 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.856 0.36 . . . . 71.4 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.39 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 54.02 111.108 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -12.85 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.836 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.86 -13.05 83.83 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 53.05 112.472 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -4.92 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 72.21 110.886 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -106.77 -27.68 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -120.66 -48.11 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HG3' HD13 ' A' ' 11' ' ' LEU . 12.5 mptt -87.67 68.43 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 34.33 110.908 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.7 -62.46 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 54.04 110.846 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.74 -23.25 31.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.746 2.297 . . . . 62.43 112.279 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.03 -64.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 51.2 110.905 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -18.36 58.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.933 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.95 -88.55 2.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 73.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -51.05 -46.84 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.11 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.95 58.41 4.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.815 -0.707 . . . . 24.35 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.783 -0.722 . . . . 64.12 112.484 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.872 0.367 . . . . 73.43 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.34 0.19 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 72.45 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' B' ' 4' ' ' ILE . 4.2 mp -120.85 -8.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.173 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 1.89 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 75.5 111.144 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.406 ' HA ' ' HB2' ' B' ' 9' ' ' ASN . 1.0 OUTLIER -122.45 -27.81 4.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.21 111.124 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -22.46 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.54 1.88 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.88 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -94.91 -58.06 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.895 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -120.57 -0.98 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.949 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.37 75.96 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.876 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -121.21 -76.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 53.21 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 21.84 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' B' ' 16' ' ' HIS . 8.4 mp -113.06 120.93 43.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.938 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -7.76 55.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.134 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.662 ' CD2' HD23 ' B' ' 14' ' ' LEU . 4.9 m-70 -39.57 115.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.881 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -76.86 -1.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.55 110.935 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 10' ' ' LEU . 3.4 pp -49.68 -25.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.937 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.596 ' N ' HD12 ' B' ' 18' ' ' LEU . 4.7 t80 -48.8 -61.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.827 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -103.05 -32.64 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 71.13 110.826 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -18.4 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.5 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -70.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.866 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.447 ' O ' HG22 ' B' ' 26' ' ' THR . 11.2 m-85 -68.68 -9.96 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.46 -35.49 5.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 74.32 112.489 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -21.91 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 70.5 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.447 HG22 ' O ' ' B' ' 23' ' ' PHE . 7.0 t -71.18 -33.13 69.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.32 111.144 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 71.23 110.977 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.466 HG12 ' HG2' ' A' ' 3' ' ' ARG . 24.5 t . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.845 0.355 . . . . 73.41 111.127 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 83.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -119.33 -18.0 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.914 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -16.78 71.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 73.51 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -8.65 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 75.45 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.33 -23.51 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.954 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -37.21 3.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.835 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.14 65.7 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.879 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -77.85 -59.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 73.5 110.972 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.5 Cg_endo -69.81 -8.09 22.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 60.22 112.33 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.526 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -102.06 -71.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.898 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -19.08 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.939 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.54 -83.49 1.52 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 61.25 112.511 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.16 -53.1 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 65.32 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.53 93.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 31.33 112.51 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 64.45 112.423 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.841 0.353 . . . . 74.42 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -0.59 37.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 70.43 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' B' ' 19' ' ' PHE . 3.9 mp -120.2 -10.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.24 1.69 14.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 60.35 111.132 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.69 -33.28 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.145 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.492 ' O ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -119.41 -29.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 72.4 111.17 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' HIS . . . . . 0.497 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -105.52 -3.61 22.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -24.43 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.828 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.497 HD23 ' O ' ' B' ' 8' ' ' HIS . 1.9 pt? -55.01 -29.1 56.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.898 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.694 ' CE2' HD13 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -120.62 26.72 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.892 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -58.9 -23.57 61.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 52.54 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -83.82 4.8 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.936 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.694 HD13 ' CE2' ' B' ' 11' ' ' PHE . 10.9 tp -80.05 -75.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 75.53 110.966 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.86 -85.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.35 111.133 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.17 103.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 62.23 110.818 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -24.63 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -13.15 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.953 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -80.44 -23.32 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.917 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 -34.39 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 70.4 110.852 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.2 -21.05 43.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.819 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -120.32 -52.65 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.922 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.62 11.67 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.48 -17.39 8.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 54.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.01 -30.64 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.954 0.407 . . . . 64.01 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.36 107.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 73.04 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.407 ' O ' HG11 ' A' ' 1' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.639 HG13 ' HG2' ' A' ' 3' ' ' ARG . 13.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.908 0.385 . . . . 62.54 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.606 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . . . -75.77 102.86 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 73.3 111.105 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.639 ' HG2' HG13 ' A' ' 1' ' ' VAL . 3.9 mtt180 -118.52 -17.88 9.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.835 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.76 -16.69 72.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.767 -0.73 . . . . 60.25 112.46 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -122.18 -8.36 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.03 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.606 ' NZ ' ' HB3' ' A' ' 2' ' ' ALA . 2.0 mptm? -99.69 -21.15 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 62.45 110.904 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.01 -28.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.856 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.775 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.4 mptm? -73.5 76.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 64.4 110.948 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -75.17 -61.14 1.04 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 71.44 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.75 -7.8 21.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.258 . . . . 72.44 112.283 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.775 HD12 ' HG3' ' A' ' 8' ' ' LYS . 17.0 mt -100.12 -70.0 0.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 75.55 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -69.49 -11.61 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.872 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.93 -120.15 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 70.32 112.506 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -1.38 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.04 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.34 83.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.478 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.822 -0.704 . . . . 44.42 112.493 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 75.42 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.5 2.88 10.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.956 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -29.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.121 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -4.79 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.25 111.099 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.01 -22.19 5.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 64.51 111.134 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -52.11 -39.82 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 65.33 111.166 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -84.22 -15.89 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 61.41 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -89.19 -12.91 39.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 55.11 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.2 pp -82.3 0.16 42.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.45 110.953 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.95 73.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 65.25 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -54.7 -27.15 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.86 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -26.47 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.888 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp -49.01 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 44.04 110.961 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -117.69 -98.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.117 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -124.95 -91.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.888 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -125.64 100.91 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.32 9.1 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.953 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -121.34 -34.65 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.966 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -43.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 64.33 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -7.07 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 54.14 110.867 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -120.17 -63.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.12 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -93.63 13.34 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.5 -11.76 11.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 70.13 112.493 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.39 -20.05 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 74.44 110.964 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -51.24 -33.25 27.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.171 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.925 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 53.03 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.21 66.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.11 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -120.72 -11.94 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 54.04 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.52 -11.69 84.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 62.21 112.474 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.63 -18.45 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 70.44 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -29.47 52.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -116.84 -25.14 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 44.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -72.8 -59.55 2.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.53 0.681 . . . . 72.13 110.847 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.72 -15.0 37.03 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.651 2.234 . . . . 74.45 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.64 -76.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 51.11 110.871 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -24.45 50.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' CA ' HG21 ' B' ' 26' ' ' THR . . . -72.63 -84.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 63.41 112.532 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -102.06 -19.58 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 74.41 110.861 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.92 60.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 73.13 112.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 64.21 112.458 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 72.32 110.941 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.15 4.64 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 65.4 110.827 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.24 -40.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 53.54 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 -2.99 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 75.4 111.134 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.35 -20.06 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.11 111.222 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.585 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.07 -38.81 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 75.25 111.09 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.27 -17.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.802 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.605 ' HB2' HD21 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -70.43 -10.37 58.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.949 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.604 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.2 pp -75.05 -5.64 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.967 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -73.05 72.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.828 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 -32.65 40.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.864 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -33.6 74.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 61.45 110.923 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.57 HD12 ' HD2' ' B' ' 11' ' ' PHE . 13.0 mt -101.85 -77.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.943 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.667 ' CB ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.74 119.42 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.146 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -119.29 -15.7 9.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.07 48.35 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.92 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.667 HD13 ' CB ' ' B' ' 15' ' ' THR . 1.2 pt? -124.13 8.13 8.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -121.86 -58.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.35 10.75 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -86.36 -50.9 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -121.23 -33.62 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.896 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.431 ' O ' HG22 ' B' ' 26' ' ' THR . 16.8 m-85 -87.81 -2.58 58.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.56 -32.81 23.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -20.09 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 74.03 110.862 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 23' ' ' PHE . 6.8 t -53.42 -33.28 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.091 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.31 110.903 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 71.44 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.54 89.09 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 44.04 111.123 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -117.41 -21.28 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.13 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -17.12 63.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 43.13 112.5 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -122.26 -7.42 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.12 110.915 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -18.97 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -31.21 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.909 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.737 ' HG3' HD13 ' A' ' 11' ' ' LEU . 9.8 mptt -70.97 81.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.81 -62.37 0.63 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.68 0.753 . . . . 62.34 110.891 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.7 Cg_endo -69.72 -23.49 30.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.272 . . . . 74.24 112.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -76.5 -75.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.9 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.35 -17.32 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.1 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.75 -79.02 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 52.31 112.496 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -39.71 86.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 72.41 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -23.92 75.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 74.2 112.501 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 75.2 112.548 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.85 0.357 . . . . 73.42 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.84 -2.33 15.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 71.05 110.862 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.439 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -118.69 -21.52 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 71.0 111.155 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -105.85 -7.61 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 70.41 111.191 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -25.4 8.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.542 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.5 -38.22 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.17 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -14.52 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.832 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.07 -13.54 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.54 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.542 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.8 pp -74.27 -4.11 34.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.912 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.6 ' HD2' HD13 ' B' ' 14' ' ' LEU . 1.1 m-30 -69.37 83.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 50.54 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -45.89 -35.33 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' B' ' 14' ' ' LEU . 1.7 tttt -65.97 -43.09 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.803 HD22 HD23 ' B' ' 18' ' ' LEU . 7.8 mp -100.41 110.39 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.586 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -52.27 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.145 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.586 ' H ' HG23 ' B' ' 15' ' ' THR . 0.1 OUTLIER -126.98 6.62 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.799 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -33.12 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.803 HD23 HD22 ' B' ' 14' ' ' LEU . 0.4 OUTLIER -97.41 19.62 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.901 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -120.75 -34.81 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.843 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -116.49 -43.07 2.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.803 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -3.26 43.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.858 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -118.99 -65.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -82.94 2.21 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 62.3 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.58 -19.13 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 75.41 112.537 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.41 -26.18 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.907 0.384 . . . . 62.1 110.928 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 p -54.96 -41.3 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 54.25 110.96 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.805 0.336 . . . . 70.41 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.69 62.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.176 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -8.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 75.1 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.693 ' HA2' HG21 ' B' ' 5' ' ' THR . . . -90.92 -5.69 67.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 63.44 112.487 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.49 -2.04 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 73.14 110.935 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.03 -10.34 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.85 -26.61 15.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.844 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -80.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.853 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -124.78 134.91 26.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.57 0.7 . . . . 73.44 110.922 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 32.57 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.718 2.279 . . . . 63.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' CYS . 27.1 mt -122.86 -35.3 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.21 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.0 -14.93 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.72 -89.57 1.28 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.829 -0.701 . . . . 72.34 112.486 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -59.25 -21.05 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 73.23 110.912 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.01 -28.13 24.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 41.41 112.501 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' B' ' 26' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.475 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.785 0.326 . . . . 72.45 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -116.78 4.2 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 63.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.96 -33.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.113 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 ' HA2' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -95.8 -1.85 48.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 55.54 111.11 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.12 -29.28 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -41.48 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.21 111.13 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.77 -2.5 27.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.809 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.88 6.49 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 73.43 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -88.46 -33.95 17.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.2 110.93 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -53.08 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.924 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -53.01 -37.55 61.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 54.44 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -121.47 55.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.06 -33.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.23 110.946 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.43 121.74 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.182 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -89.38 35.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 73.35 110.852 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -120.19 -30.45 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.85 22.92 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -115.95 -37.8 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.92 -32.66 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.856 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -11.45 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.855 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -120.28 -61.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.928 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.29 5.38 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.32 -24.47 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.36 -27.11 34.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.046 0.45 . . . . 72.32 110.954 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 16' ' ' GLY . 26.3 p -52.28 -41.02 62.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 62.05 111.235 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.892 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 72.34 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.03 101.59 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.15 111.11 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.38 -9.46 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.867 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.91 -4.23 69.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -121.33 -8.83 9.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 74.31 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 -14.57 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.887 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -36.52 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.723 ' CD ' HD13 ' A' ' 11' ' ' LEU . 37.2 mmtt -70.78 80.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.887 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -78.27 -62.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 60.33 110.913 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 -26.0 28.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 52.1 112.36 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD13 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.8 -75.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.875 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -19.38 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 62.52 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.85 -81.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 64.15 112.445 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -11.53 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 72.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.93 -28.66 25.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 74.45 112.527 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 73.55 112.515 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 73.31 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.2 -28.9 6.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.97 -36.82 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.0 -21.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 71.32 111.1 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 55.13 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 -32.34 22.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.15 111.1 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -78.25 -31.77 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.52 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.533 ' HB3' HD22 ' B' ' 14' ' ' LEU . 2.4 m-70 -78.19 -21.5 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.849 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.52 -24.48 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.909 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.1 pp -88.43 -1.93 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.89 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.17 81.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -29.02 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -72.22 -35.13 68.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.22 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' B' ' 8' ' ' HIS . 6.0 tt -79.43 120.1 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 109.73 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.159 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -120.04 107.13 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.05 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 -9.35 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.86 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.72 -6.24 49.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -83.51 -25.86 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.889 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -27.8 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.861 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -89.32 -22.69 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -48.45 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.915 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -93.91 5.31 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.91 -37.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 71.52 112.444 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -20.41 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 72.04 110.905 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -50.85 -32.24 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 71.14 111.133 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.04 19.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.45 110.946 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.898 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 53.03 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.0 76.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -119.87 -19.88 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -18.32 63.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 63.35 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.64 2.13 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.354 . . . . 72.21 110.918 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -118.34 -10.93 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 73.01 110.958 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.34 -28.48 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.817 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -86.6 -82.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.883 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LEU . 72.3 m -125.56 134.32 25.71 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.66 0.743 . . . . 63.41 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 32.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 55.25 112.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.3 pp -122.95 -35.0 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.948 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.18 -13.84 60.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.04 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.81 -54.58 2.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -85.16 -36.04 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 75.31 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.96 -73.55 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 74.13 112.529 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 65.53 112.527 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 73.04 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -96.94 50.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.884 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -120.68 -9.39 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 71.35 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.19 -33.22 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.091 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.34 -5.68 39.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 54.42 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.4 -18.8 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 72.25 111.155 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.641 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.47 -38.75 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.172 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -16.36 59.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 63.31 110.891 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -9.74 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.88 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.641 HD23 ' O ' ' B' ' 7' ' ' ILE . 0.6 OUTLIER -79.54 -2.39 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.855 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.04 74.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -51.54 -35.25 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.801 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -60.91 -34.54 74.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -93.09 -75.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.916 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.705 ' HB ' HD22 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.26 112.93 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 72.33 111.168 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -67.26 -76.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.83 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.42 93.03 4.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.847 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.705 HD22 ' HB ' ' B' ' 15' ' ' THR . 2.1 pt? -121.18 -16.17 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 64.41 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -92.92 -28.14 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -27.13 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.924 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -18.69 22.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.904 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.44 -48.63 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.824 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -101.36 12.45 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.827 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.49 -15.67 52.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 54.21 112.465 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -25.66 58.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 64.32 110.925 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -52.69 -33.66 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.41 111.155 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -32.31 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.983 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 75.45 110.836 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.929 0.395 . . . . 74.14 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.02 87.02 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 61.11 111.122 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -119.45 -20.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 63.12 110.82 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.09 -19.48 61.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.507 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -121.8 -8.02 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 73.14 110.924 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -98.95 -19.68 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 61.35 110.88 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -36.77 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.61 74.81 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 64.05 110.925 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.58 -62.28 0.81 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 74.44 110.937 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.3 Cg_endo -69.8 -8.22 23.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.67 2.246 . . . . 73.2 112.348 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 8' ' ' LYS . 5.5 mp -98.36 -69.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.942 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.867 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -109.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 60.42 112.525 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -17.67 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.41 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.29 -25.01 60.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 64.4 112.503 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 31.04 112.511 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.793 0.33 . . . . 71.15 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -104.96 81.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 63.21 110.907 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.94 -2.14 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 72.41 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.67 -31.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 111.113 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -96.92 2.44 51.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 21.41 111.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.84 -31.17 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 63.33 111.163 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 pt -56.1 -34.68 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 72.53 111.195 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -11.5 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.833 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -18.94 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.89 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.5 -16.32 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.968 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.62 72.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.892 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -35.2 80.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -33.44 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.24 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -75.8 -69.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.693 ' OG1' HD23 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -117.5 120.03 36.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 73.01 111.198 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.7 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 62.42 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -96.35 99.42 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.53 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.693 HD23 ' OG1' ' B' ' 15' ' ' THR . 0.3 OUTLIER -120.66 -11.35 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.859 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.29 -22.02 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.97 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -110.19 -47.24 3.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.907 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -78.77 -11.23 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -120.37 -58.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -92.87 10.66 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.55 110.873 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.31 -26.37 2.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 63.32 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.16 -27.32 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.375 . . . . 73.4 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -52.48 -33.54 45.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.123 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.82 -29.01 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 61.3 110.887 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 63.14 110.887 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.372 . . . . 65.42 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' B' ' 26' ' ' THR . . . -76.27 93.94 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 44.52 111.125 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -118.84 -20.55 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.857 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.09 61.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 40.24 112.504 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -6.25 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 110.863 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 2' ' ' ALA . 1.3 mptp? -103.76 -18.31 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 64.4 110.926 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -32.65 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.853 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -71.7 82.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.45 110.924 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.25 -60.91 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 74.45 110.88 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.6 Cg_endo -69.72 -16.87 37.94 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.687 2.258 . . . . 51.33 112.324 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HG3' ' A' ' 8' ' ' LYS . 7.5 mt -87.57 -69.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 35.41 110.913 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -68.92 -15.48 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 75.51 110.923 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.66 -114.3 2.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 35.43 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -30.2 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 54.23 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.56 -27.63 27.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 60.13 112.462 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 73.34 112.481 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.83 0.348 . . . . 65.13 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -106.76 65.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.948 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -120.89 -31.57 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.842 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.93 -33.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -90.95 -0.47 57.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 43.02 111.143 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.05 -25.72 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.149 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.611 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -53.87 -41.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 53.2 111.134 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.35 -13.56 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.01 110.862 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.662 ' ND2' HD12 ' B' ' 18' ' ' LEU . 20.9 m120 -90.42 -17.08 27.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.611 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.1 pp -75.14 -5.87 46.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.591 ' HD2' HD12 ' B' ' 14' ' ' LEU . 1.1 m-85 -73.77 71.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -26.63 38.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.846 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -67.23 -29.0 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' B' ' 11' ' ' PHE . 11.5 mt -102.16 -78.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.888 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.735 ' CG2' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.63 120.33 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.185 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -121.05 14.14 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -100.32 -32.39 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' B' ' 15' ' ' THR . 0.2 OUTLIER -93.31 26.94 2.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 51.24 110.875 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -121.17 -43.61 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -113.89 -31.42 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.91 -12.88 54.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.806 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -120.96 -59.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -92.73 12.16 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.34 35.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 51.03 112.473 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -22.86 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 60.14 110.842 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -51.21 119.4 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.41 111.164 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.49 81.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.961 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 62.4 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 91.79 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 62.22 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.05 -20.09 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.834 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.51 -16.91 65.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.503 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -5.68 9.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 74.34 110.964 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -105.32 -14.46 15.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.922 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.74 -36.24 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mmtp -76.38 72.19 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.932 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.43 -61.85 1.33 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 71.43 110.881 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.81 -12.64 33.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 62.35 112.381 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 8' ' ' LYS . 3.0 mt -96.9 -69.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.888 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.36 -12.92 61.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 70.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -79.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 61.32 112.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -18.51 48.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 73.14 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.38 80.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 75.12 112.463 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 60.02 112.481 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 71.11 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -94.76 23.64 5.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.878 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -120.17 -9.96 9.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.13 -26.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -4.73 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.54 111.201 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.475 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -120.58 -28.45 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 70.23 111.119 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -39.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.3 1.2 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.943 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.616 ' O ' HD22 ' B' ' 14' ' ' LEU . 2.9 t-20 -110.08 11.46 23.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.884 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.475 HD22 ' O ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -120.83 4.79 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.835 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.27 -24.3 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.796 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -55.84 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 72.04 110.926 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.525 ' C ' HD12 ' B' ' 14' ' ' LEU . 5.2 pttp -122.47 28.99 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' B' ' 18' ' ' LEU . 8.5 mp -120.46 121.88 39.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.4 -68.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.173 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -78.44 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.829 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.85 80.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.87 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.656 ' HB2' HD23 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -119.86 -14.77 8.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.912 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.66 -17.3 27.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.85 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -120.72 -33.46 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.842 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -17.27 29.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.6 ' OD1' HD11 ' B' ' 14' ' ' LEU . 1.4 t30 -120.17 -49.12 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.84 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.03 12.48 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.932 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.73 -20.03 11.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 64.11 112.432 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -30.09 22.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.849 0.357 . . . . 71.42 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -51.77 -33.42 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.158 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.544 ' O ' HD12 ' B' ' 27' ' ' LEU . 4.9 tp -108.14 -33.46 7.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.14 110.972 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.919 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 74.43 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.04 84.32 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.137 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.31 -19.58 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.49 -14.98 70.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.1 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HZ3' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -122.6 -8.15 8.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 74.03 110.921 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -17.43 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.901 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -29.01 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 72.31 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' HD13 ' A' ' 11' ' ' LEU . 20.9 mmtp -81.71 65.5 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.98 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.481 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -73.22 -61.6 1.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 62.1 110.911 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.8 -10.87 29.58 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.629 2.219 . . . . 74.12 112.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD13 ' HD2' ' A' ' 8' ' ' LYS . 2.3 mt -98.37 -73.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -68.56 -11.81 60.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.885 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 73.13 112.551 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.15 -48.98 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 72.43 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.36 60.29 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 44.21 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 73.43 112.491 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mptt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.822 0.344 . . . . 60.34 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -113.91 23.9 12.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.95 -12.4 60.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.03 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.31 -14.63 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.102 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -0.02 21.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.143 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.17 -31.77 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.31 111.102 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.702 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.05 -39.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.42 111.166 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -16.76 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 75.34 110.827 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -16.26 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.824 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.702 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.4 pp -60.49 -18.38 51.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.96 74.41 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -31.14 32.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 62.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -66.44 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.944 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' B' ' 16' ' ' HIS . 23.2 tp -51.23 120.46 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -50.21 -33.28 18.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.698 ' CE1' HD11 ' B' ' 14' ' ' LEU . 5.5 m170 -60.4 99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.856 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -110.29 2.58 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.3 110.858 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.507 HD12 ' HZ3' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -53.66 -24.36 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 64.02 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -73.24 -75.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptt-85 -57.58 -20.95 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 72.04 110.851 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -47.16 -64.99 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.793 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -120.52 -29.5 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -82.25 1.55 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.07 -16.98 60.06 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.731 . . . . 71.14 112.548 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.38 -25.79 50.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.989 0.423 . . . . 74.25 110.906 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.574 HG23 HD12 ' B' ' 27' ' ' LEU . 7.0 t -51.74 -33.13 33.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 75.11 111.131 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.574 HD12 HG23 ' B' ' 26' ' ' THR . 3.6 mp -75.82 -74.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.899 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.877 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.842 0.353 . . . . 61.53 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 86.12 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 72.32 111.059 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -118.38 -20.62 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.851 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -18.16 65.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.719 -0.753 . . . . 31.13 112.462 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -121.3 -8.46 9.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.806 0.336 . . . . 64.01 110.919 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.8 -19.04 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.894 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -39.01 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 64.23 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.29 76.34 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.885 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.13 -62.25 0.61 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.527 0.68 . . . . 74.14 110.9 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.3 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 73.32 112.387 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.7 -67.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.932 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -17.92 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.915 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.18 -108.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 70.22 112.512 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -94.72 -7.73 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 72.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.08 -27.99 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.454 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 45.51 112.512 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 71.02 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.24 43.9 1.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 73.15 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -117.5 12.55 14.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.93 -34.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.44 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -2.89 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.62 -22.68 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.579 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.51 -39.51 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.108 179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -16.69 52.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.18 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.893 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.579 HD22 ' O ' ' B' ' 7' ' ' ILE . 0.9 OUTLIER -69.59 -9.79 55.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.883 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.434 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.4 OUTLIER -73.21 74.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 71.14 110.887 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -50.82 -34.22 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.811 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -37.16 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 72.12 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.73 120.51 39.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.85 103.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.14 111.226 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -120.76 31.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.818 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -81.19 52.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 64.03 110.862 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -118.33 -16.93 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.885 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.59 ' N ' HD12 ' B' ' 18' ' ' LEU . 36.4 t80 -91.72 -60.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 63.2 110.898 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -72.13 -12.99 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -65.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.801 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.75 -24.9 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 64.44 110.824 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -89.44 5.95 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.76 -12.6 74.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 62.12 112.431 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.08 -26.12 48.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 72.14 110.898 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -54.8 -33.35 61.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 74.23 111.213 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -109.77 -26.98 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 60.41 110.885 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.445 HG23 ' HG2' ' A' ' 3' ' ' ARG . 13.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 75.03 111.119 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.32 84.2 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 63.32 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' HG23 ' A' ' 1' ' ' VAL . 6.2 ptm180 -118.75 -18.87 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 60.41 110.927 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -17.08 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 25.31 112.455 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.77 -8.26 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 71.34 110.879 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -105.51 -23.49 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.936 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -44.94 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.848 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.43 62.59 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 54.02 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -78.6 -62.69 0.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.13 110.891 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.2 Cg_endo -69.74 -7.26 20.61 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 73.42 112.417 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.49 -76.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.32 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -21.9 63.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.827 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.68 -92.85 1.76 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.498 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -46.82 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 70.13 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.31 58.56 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 73.2 112.605 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.671 -0.776 . . . . 61.21 112.43 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 72.33 110.964 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -95.31 23.75 5.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.953 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' B' ' 7' ' ' ILE . 3.8 tt0 -69.55 -37.8 77.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.41 110.844 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.1 7.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.102 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.39 6.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.79 -33.85 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.129 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.689 ' O ' HD23 ' B' ' 10' ' ' LEU . 5.2 mp -96.62 -34.46 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.083 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.0 -17.08 56.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.936 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.554 ' O ' HG22 ' B' ' 15' ' ' THR . 30.3 t30 -59.64 -16.68 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.786 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.0 OUTLIER -61.8 -15.35 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 55.01 110.878 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.25 83.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -44.96 -36.53 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -68.23 -44.76 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.847 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.47 54.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 70.22 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 9' ' ' ASN . 0.6 OUTLIER -79.55 120.73 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.14 111.135 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -78.67 103.92 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.96 -16.49 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.943 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.79 10.29 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -120.63 -14.47 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 54.44 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -119.13 -12.64 9.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.843 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -62.02 -53.38 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 60.44 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.75 -36.47 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -77.27 -5.18 48.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.873 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.48 -11.5 51.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.506 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.6 -32.1 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 72.44 110.922 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER -63.95 120.06 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.144 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.97 -32.47 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.776 0.322 . . . . 73.51 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 45.12 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.48 -19.72 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 63.12 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -16.33 68.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.464 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 -7.53 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 72.41 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -19.29 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.915 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.98 -34.38 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 73.12 110.877 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HG3' HD13 ' A' ' 11' ' ' LEU . 2.3 mptp? -89.76 74.78 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.806 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -74.58 -61.91 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.33 110.914 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.7 Cg_endo -69.81 -15.53 36.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.625 2.217 . . . . 71.03 112.374 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' HG2' ' A' ' 10' ' ' PRO . 5.6 mp -89.8 -48.39 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.927 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -80.33 -11.18 59.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.61 -73.5 1.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 40.13 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -27.72 16.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 63.14 110.952 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.63 0.76 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.686 -0.768 . . . . 74.21 112.518 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.488 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.773 0.32 . . . . 74.35 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -84.78 4.07 34.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.296 -0.411 . . . . 75.14 110.893 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -2.75 36.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.888 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.436 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -116.71 -20.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.112 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -14.54 18.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 74.3 111.081 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -33.35 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.147 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.556 ' O ' HD23 ' B' ' 10' ' ' LEU . 1.8 pt -60.19 -28.53 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.13 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -6.96 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -11.17 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.42 110.934 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.556 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.6 pp -76.8 -4.09 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.24 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 74.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -49.6 -35.62 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.919 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -39.89 95.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.859 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 120.82 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -47.9 129.04 14.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.208 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.27 23.29 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 54.41 110.781 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -55.62 -23.54 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.3 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.82 25.11 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 60.14 110.949 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -120.73 -51.9 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 73.34 110.815 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -119.59 -28.15 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.846 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -76.05 -20.01 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.881 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -120.47 -46.99 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 63.45 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -96.38 9.7 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.854 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.8 -21.5 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 64.23 112.545 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.65 -24.42 63.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 73.45 110.858 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 65.23 111.149 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.59 -30.72 8.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 45.05 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.14 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.856 0.36 . . . . 71.4 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.39 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 54.02 111.108 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -12.85 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.836 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.86 -13.05 83.83 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 53.05 112.472 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -4.92 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 72.21 110.886 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -106.77 -27.68 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -120.66 -48.11 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HG3' HD13 ' A' ' 11' ' ' LEU . 12.5 mptt -87.67 68.43 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 34.33 110.908 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.7 -62.46 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 54.04 110.846 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.74 -23.25 31.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.746 2.297 . . . . 62.43 112.279 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.03 -64.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 51.2 110.905 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -18.36 58.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.933 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.95 -88.55 2.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 73.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -51.05 -46.84 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.11 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.95 58.41 4.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.815 -0.707 . . . . 24.35 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.783 -0.722 . . . . 64.12 112.484 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.765 0.317 . . . . 63.25 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 -0.15 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.927 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.34 0.19 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 72.45 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' B' ' 4' ' ' ILE . 4.2 mp -120.85 -8.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.173 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 1.89 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 75.5 111.144 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.406 ' HA ' ' HB2' ' B' ' 9' ' ' ASN . 1.0 OUTLIER -122.45 -27.81 4.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.21 111.124 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -22.46 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.54 1.88 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.88 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -94.91 -58.06 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.895 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -120.57 -0.98 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.949 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.37 75.96 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.876 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -121.21 -76.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 53.21 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 21.84 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' B' ' 16' ' ' HIS . 8.4 mp -113.06 120.93 43.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.938 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -7.76 55.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.134 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.662 ' CD2' HD23 ' B' ' 14' ' ' LEU . 4.9 m-70 -39.57 115.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.881 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -76.86 -1.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.55 110.935 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 10' ' ' LEU . 3.4 pp -49.68 -25.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.937 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.596 ' N ' HD12 ' B' ' 18' ' ' LEU . 4.7 t80 -48.8 -61.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.827 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -103.05 -32.64 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 71.13 110.826 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -18.4 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.5 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -70.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.866 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.447 ' O ' HG22 ' B' ' 26' ' ' THR . 11.2 m-85 -68.68 -9.96 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.46 -35.49 5.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 74.32 112.489 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -21.91 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 70.5 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.447 HG22 ' O ' ' B' ' 23' ' ' PHE . 7.0 t -71.18 -33.13 69.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.32 111.144 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -30.04 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 71.23 110.977 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.807 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.466 HG12 ' HG2' ' A' ' 3' ' ' ARG . 24.5 t . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.845 0.355 . . . . 73.41 111.127 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 83.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -119.33 -18.0 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.914 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -16.78 71.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 73.51 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -8.65 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 75.45 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.33 -23.51 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.954 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -37.21 3.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.835 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.14 65.7 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.879 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -77.85 -59.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 73.5 110.972 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.5 Cg_endo -69.81 -8.09 22.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 60.22 112.33 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.526 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -102.06 -71.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.898 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -19.08 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.939 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.54 -83.49 1.52 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 61.25 112.511 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.16 -53.1 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 65.32 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.53 93.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 31.33 112.51 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 64.45 112.423 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.785 0.326 . . . . 74.42 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -98.57 26.51 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -0.59 37.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 70.43 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' B' ' 19' ' ' PHE . 3.9 mp -120.2 -10.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.24 1.69 14.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 60.35 111.132 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.69 -33.28 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.145 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.492 ' O ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -119.41 -29.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 72.4 111.17 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.497 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -105.52 -3.61 22.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -24.43 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.828 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.497 HD23 ' O ' ' B' ' 8' ' ' HIS . 1.9 pt? -55.01 -29.1 56.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.898 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.694 ' CE2' HD13 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -120.62 26.72 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.892 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -58.9 -23.57 61.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 52.54 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -83.82 4.8 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.936 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.694 HD13 ' CE2' ' B' ' 11' ' ' PHE . 10.9 tp -80.05 -75.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 75.53 110.966 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.86 -85.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.35 111.133 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.17 103.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 62.23 110.818 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -24.63 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -13.15 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.953 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -80.44 -23.32 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.917 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 -34.39 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 70.4 110.852 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.2 -21.05 43.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.819 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -120.32 -52.65 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.922 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.62 11.67 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.48 -17.39 8.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 54.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.01 -30.64 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.954 0.407 . . . . 64.01 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.36 107.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 73.04 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.407 ' O ' HG11 ' A' ' 1' ' ' VAL . 1.0 OUTLIER -115.38 -26.09 7.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.904 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.639 HG13 ' HG2' ' A' ' 3' ' ' ARG . 13.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.908 0.385 . . . . 62.54 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.606 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . . . -75.77 102.86 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 73.3 111.105 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.639 ' HG2' HG13 ' A' ' 1' ' ' VAL . 3.9 mtt180 -118.52 -17.88 9.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.835 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.76 -16.69 72.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.767 -0.73 . . . . 60.25 112.46 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -122.18 -8.36 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.03 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.606 ' NZ ' ' HB3' ' A' ' 2' ' ' ALA . 2.0 mptm? -99.69 -21.15 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 62.45 110.904 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.01 -28.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.856 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.775 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.4 mptm? -73.5 76.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 64.4 110.948 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -75.17 -61.14 1.04 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 71.44 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.75 -7.8 21.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.258 . . . . 72.44 112.283 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.775 HD12 ' HG3' ' A' ' 8' ' ' LYS . 17.0 mt -100.12 -70.0 0.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 75.55 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -69.49 -11.61 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.872 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.93 -120.15 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 70.32 112.506 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -1.38 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.04 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.34 83.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.478 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.822 -0.704 . . . . 44.42 112.493 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 64.52 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.17 64.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.5 2.88 10.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.956 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -29.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.121 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -4.79 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.25 111.099 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.01 -22.19 5.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 64.51 111.134 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -52.11 -39.82 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 65.33 111.166 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -84.22 -15.89 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 61.41 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -89.19 -12.91 39.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 55.11 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.2 pp -82.3 0.16 42.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.45 110.953 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.95 73.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 65.25 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -54.7 -27.15 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.86 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -26.47 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.888 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp -49.01 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 44.04 110.961 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -117.69 -98.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.117 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -124.95 -91.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.888 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -125.64 100.91 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.32 9.1 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.953 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -121.34 -34.65 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.966 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -43.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 64.33 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -7.07 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 54.14 110.867 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -120.17 -63.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.12 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -93.63 13.34 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.5 -11.76 11.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 70.13 112.493 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.39 -20.05 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 74.44 110.964 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -51.24 -33.25 27.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.171 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.86 -28.33 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 72.35 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 53.03 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.21 66.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.11 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -120.72 -11.94 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 54.04 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.52 -11.69 84.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 62.21 112.474 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.63 -18.45 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 70.44 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -29.47 52.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -116.84 -25.14 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 44.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -72.8 -59.55 2.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.53 0.681 . . . . 72.13 110.847 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.72 -15.0 37.03 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.651 2.234 . . . . 74.45 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.64 -76.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 51.11 110.871 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -24.45 50.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' CA ' HG21 ' B' ' 26' ' ' THR . . . -72.63 -84.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 63.41 112.532 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -102.06 -19.58 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 74.41 110.861 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.92 60.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 73.13 112.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 64.21 112.458 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.752 0.31 . . . . 71.22 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.34 51.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.941 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.15 4.64 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 65.4 110.827 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.24 -40.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 53.54 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 -2.99 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 75.4 111.134 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.35 -20.06 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.11 111.222 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.585 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.07 -38.81 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 75.25 111.09 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.27 -17.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.802 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.605 ' HB2' HD21 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -70.43 -10.37 58.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.949 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.604 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.2 pp -75.05 -5.64 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.967 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -73.05 72.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.828 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 -32.65 40.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.864 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -33.6 74.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 61.45 110.923 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.57 HD12 ' HD2' ' B' ' 11' ' ' PHE . 13.0 mt -101.85 -77.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.943 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.667 ' CB ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.74 119.42 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.146 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -119.29 -15.7 9.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.07 48.35 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.92 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.667 HD13 ' CB ' ' B' ' 15' ' ' THR . 1.2 pt? -124.13 8.13 8.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -121.86 -58.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.35 10.75 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -86.36 -50.9 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -121.23 -33.62 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.896 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.431 ' O ' HG22 ' B' ' 26' ' ' THR . 16.8 m-85 -87.81 -2.58 58.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.56 -32.81 23.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -20.09 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 74.03 110.862 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 23' ' ' PHE . 6.8 t -53.42 -33.28 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.091 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.79 -31.64 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.31 110.903 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.861 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 71.44 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.54 89.09 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 44.04 111.123 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -117.41 -21.28 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.13 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -17.12 63.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 43.13 112.5 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -122.26 -7.42 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.12 110.915 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -18.97 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -31.21 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.909 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.737 ' HG3' HD13 ' A' ' 11' ' ' LEU . 9.8 mptt -70.97 81.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.81 -62.37 0.63 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.68 0.753 . . . . 62.34 110.891 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.7 Cg_endo -69.72 -23.49 30.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.272 . . . . 74.24 112.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -76.5 -75.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.9 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.35 -17.32 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.1 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.75 -79.02 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 52.31 112.496 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -39.71 86.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 72.41 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -23.92 75.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 74.2 112.501 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 75.2 112.548 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 75.03 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -107.98 82.11 1.59 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 73.42 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.84 -2.33 15.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 71.05 110.862 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.439 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -118.69 -21.52 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 71.0 111.155 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -105.85 -7.61 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 70.41 111.191 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -25.4 8.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.542 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.5 -38.22 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.17 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -14.52 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.832 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.07 -13.54 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.54 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.542 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.8 pp -74.27 -4.11 34.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.912 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.6 ' HD2' HD13 ' B' ' 14' ' ' LEU . 1.1 m-30 -69.37 83.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 50.54 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -45.89 -35.33 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' B' ' 14' ' ' LEU . 1.7 tttt -65.97 -43.09 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.803 HD22 HD23 ' B' ' 18' ' ' LEU . 7.8 mp -100.41 110.39 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.586 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -52.27 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.145 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.586 ' H ' HG23 ' B' ' 15' ' ' THR . 0.1 OUTLIER -126.98 6.62 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.799 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -33.12 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.803 HD23 HD22 ' B' ' 14' ' ' LEU . 0.4 OUTLIER -97.41 19.62 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.901 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -120.75 -34.81 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.843 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -116.49 -43.07 2.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.803 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -3.26 43.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.858 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -118.99 -65.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -82.94 2.21 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 62.3 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.58 -19.13 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 75.41 112.537 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.41 -26.18 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.907 0.384 . . . . 62.1 110.928 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 p -54.96 -41.3 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.17 -26.9 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 54.25 110.96 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.834 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.805 0.336 . . . . 70.41 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.69 62.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.176 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -8.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 75.1 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.693 ' HA2' HG21 ' B' ' 5' ' ' THR . . . -90.92 -5.69 67.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 63.44 112.487 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.49 -2.04 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 73.14 110.935 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.03 -10.34 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.85 -26.61 15.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.844 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -80.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.853 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -124.78 134.91 26.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.57 0.7 . . . . 73.44 110.922 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 32.57 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.718 2.279 . . . . 63.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' CYS . 27.1 mt -122.86 -35.3 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.21 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.0 -14.93 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.72 -89.57 1.28 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.829 -0.701 . . . . 72.34 112.486 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -59.25 -21.05 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 73.23 110.912 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.01 -28.13 24.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 41.41 112.501 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' B' ' 26' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.475 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 73.45 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -106.85 63.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.89 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -116.78 4.2 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 63.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.96 -33.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.113 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 ' HA2' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -95.8 -1.85 48.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 55.54 111.11 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.12 -29.28 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -41.48 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.21 111.13 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.77 -2.5 27.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.809 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.88 6.49 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 73.43 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -88.46 -33.95 17.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.2 110.93 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -53.08 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.924 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -53.01 -37.55 61.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 54.44 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -121.47 55.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.06 -33.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.23 110.946 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.43 121.74 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.182 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -89.38 35.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 73.35 110.852 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -120.19 -30.45 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.85 22.92 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -115.95 -37.8 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.92 -32.66 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.856 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -11.45 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.855 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -120.28 -61.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.928 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.29 5.38 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.32 -24.47 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.36 -27.11 34.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.046 0.45 . . . . 72.32 110.954 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 16' ' ' GLY . 26.3 p -52.28 -41.02 62.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 62.05 111.235 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.36 86.52 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.892 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.888 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 72.34 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.03 101.59 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.15 111.11 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.38 -9.46 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.867 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.91 -4.23 69.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -121.33 -8.83 9.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 74.31 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 -14.57 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.887 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -36.52 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.723 ' CD ' HD13 ' A' ' 11' ' ' LEU . 37.2 mmtt -70.78 80.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.887 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -78.27 -62.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 60.33 110.913 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 -26.0 28.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 52.1 112.36 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD13 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.8 -75.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.875 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -19.38 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 62.52 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.85 -81.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 64.15 112.445 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -11.53 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 72.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.93 -28.66 25.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 74.45 112.527 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 73.55 112.515 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.851 0.358 . . . . 73.24 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.97 -36.82 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.0 -21.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 71.32 111.1 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 55.13 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 -32.34 22.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.15 111.1 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -78.25 -31.77 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.52 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' B' ' 14' ' ' LEU . 15.4 m170 -78.19 -21.5 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.849 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.52 -24.48 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.909 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.1 pp -88.43 -1.93 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.89 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.17 81.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -29.02 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -72.22 -35.13 68.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.22 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' B' ' 8' ' ' HIS . 6.0 tt -79.43 120.1 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 109.73 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.159 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -120.04 107.13 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.05 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 -9.35 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.86 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.72 -6.24 49.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -83.51 -25.86 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.889 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -27.8 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.861 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -89.32 -22.69 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -48.45 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.915 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -93.91 5.31 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.91 -37.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 71.52 112.444 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -20.41 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 72.04 110.905 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -50.85 -32.24 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 71.14 111.133 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.45 110.946 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 53.03 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.0 76.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -119.87 -19.88 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -18.32 63.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 63.35 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.64 2.13 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.354 . . . . 72.21 110.918 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -118.34 -10.93 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 73.01 110.958 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.34 -28.48 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.817 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -86.6 -82.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.883 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LEU . 72.3 m -125.56 134.32 25.71 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.66 0.743 . . . . 63.41 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 32.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 55.25 112.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.3 pp -122.95 -35.0 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.948 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.18 -13.84 60.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.04 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.81 -54.58 2.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -85.16 -36.04 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 75.31 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.96 -73.55 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 74.13 112.529 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 65.53 112.527 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.8 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.875 0.369 . . . . 75.23 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -120.68 -9.39 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 71.35 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.19 -33.22 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.091 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.34 -5.68 39.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 54.42 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.4 -18.8 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 72.25 111.155 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.641 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.47 -38.75 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.172 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -16.36 59.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 63.31 110.891 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -9.74 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.88 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.641 HD23 ' O ' ' B' ' 7' ' ' ILE . 0.6 OUTLIER -79.54 -2.39 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.855 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.04 74.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -51.54 -35.25 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.801 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -60.91 -34.54 74.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -93.09 -75.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.916 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.705 ' HB ' HD22 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.26 112.93 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 72.33 111.168 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -67.26 -76.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.83 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.42 93.03 4.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.847 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.705 HD22 ' HB ' ' B' ' 15' ' ' THR . 2.1 pt? -121.18 -16.17 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 64.41 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -92.92 -28.14 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -27.13 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.924 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -18.69 22.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.904 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.44 -48.63 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.824 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -101.36 12.45 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.827 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.49 -15.67 52.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 54.21 112.465 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -25.66 58.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 64.32 110.925 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -52.69 -33.66 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.41 111.155 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.983 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.929 0.395 . . . . 74.14 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.02 87.02 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 61.11 111.122 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -119.45 -20.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 63.12 110.82 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.09 -19.48 61.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.507 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -121.8 -8.02 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 73.14 110.924 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -98.95 -19.68 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 61.35 110.88 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -36.77 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.61 74.81 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 64.05 110.925 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.58 -62.28 0.81 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 74.44 110.937 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.3 Cg_endo -69.8 -8.22 23.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.67 2.246 . . . . 73.2 112.348 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 8' ' ' LYS . 5.5 mp -98.36 -69.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.942 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.867 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -109.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 60.42 112.525 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -17.67 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.41 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.29 -25.01 60.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 64.4 112.503 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 31.04 112.511 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.884 0.373 . . . . 63.21 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.94 -2.14 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 72.41 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.67 -31.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 111.113 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -96.92 2.44 51.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 21.41 111.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.84 -31.17 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 63.33 111.163 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 pt -56.1 -34.68 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 72.53 111.195 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -11.5 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.833 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -18.94 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.89 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.5 -16.32 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.968 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.62 72.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.892 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -35.2 80.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -33.44 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.24 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -75.8 -69.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.693 ' OG1' HD23 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -117.5 120.03 36.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 73.01 111.198 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.7 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 62.42 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -96.35 99.42 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.53 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.693 HD23 ' OG1' ' B' ' 15' ' ' THR . 0.3 OUTLIER -120.66 -11.35 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.859 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.29 -22.02 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.97 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -110.19 -47.24 3.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.907 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -78.77 -11.23 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -120.37 -58.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -92.87 10.66 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.55 110.873 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.31 -26.37 2.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 63.32 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.16 -27.32 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.375 . . . . 73.4 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -52.48 -33.54 45.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.123 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 61.3 110.887 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.372 . . . . 65.42 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' B' ' 26' ' ' THR . . . -76.27 93.94 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 44.52 111.125 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -118.84 -20.55 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.857 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.09 61.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 40.24 112.504 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -6.25 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 110.863 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 2' ' ' ALA . 1.3 mptp? -103.76 -18.31 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 64.4 110.926 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -32.65 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.853 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -71.7 82.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.45 110.924 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.25 -60.91 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 74.45 110.88 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.6 Cg_endo -69.72 -16.87 37.94 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.687 2.258 . . . . 51.33 112.324 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HG3' ' A' ' 8' ' ' LYS . 7.5 mt -87.57 -69.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 35.41 110.913 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -68.92 -15.48 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 75.51 110.923 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.66 -114.3 2.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 35.43 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -30.2 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 54.23 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.56 -27.63 27.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 60.13 112.462 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 73.34 112.481 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.876 0.369 . . . . 74.42 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -120.89 -31.57 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.842 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.93 -33.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -90.95 -0.47 57.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 43.02 111.143 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.05 -25.72 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.149 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.611 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -53.87 -41.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 53.2 111.134 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.35 -13.56 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.01 110.862 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.662 ' ND2' HD12 ' B' ' 18' ' ' LEU . 20.9 m120 -90.42 -17.08 27.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.611 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.1 pp -75.14 -5.87 46.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.591 ' HD2' HD12 ' B' ' 14' ' ' LEU . 1.1 m-85 -73.77 71.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -26.63 38.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.846 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -67.23 -29.0 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' B' ' 11' ' ' PHE . 11.5 mt -102.16 -78.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.888 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.735 ' CG2' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.63 120.33 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.185 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -121.05 14.14 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -100.32 -32.39 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' B' ' 15' ' ' THR . 0.2 OUTLIER -93.31 26.94 2.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 51.24 110.875 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -121.17 -43.61 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -113.89 -31.42 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.91 -12.88 54.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.806 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -120.96 -59.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -92.73 12.16 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.34 35.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 51.03 112.473 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -22.86 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 60.14 110.842 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -51.21 119.4 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.41 111.164 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.961 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 62.4 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 91.79 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 62.22 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.05 -20.09 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.834 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.51 -16.91 65.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.503 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -5.68 9.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 74.34 110.964 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -105.32 -14.46 15.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.922 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.74 -36.24 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mmtp -76.38 72.19 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.932 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.43 -61.85 1.33 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 71.43 110.881 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.81 -12.64 33.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 62.35 112.381 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 8' ' ' LYS . 3.0 mt -96.9 -69.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.888 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.36 -12.92 61.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 70.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -79.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 61.32 112.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -18.51 48.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 73.14 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.38 80.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 75.12 112.463 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 60.02 112.481 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.7 p90 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.892 0.377 . . . . 75.14 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -120.17 -9.96 9.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.13 -26.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -4.73 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.54 111.201 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.475 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -120.58 -28.45 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 70.23 111.119 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -39.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.3 1.2 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.943 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.616 ' O ' HD22 ' B' ' 14' ' ' LEU . 2.9 t-20 -110.08 11.46 23.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.884 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.475 HD22 ' O ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -120.83 4.79 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.835 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.27 -24.3 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.796 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -55.84 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 72.04 110.926 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.525 ' C ' HD12 ' B' ' 14' ' ' LEU . 5.2 pttp -122.47 28.99 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' B' ' 18' ' ' LEU . 8.5 mp -120.46 121.88 39.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.4 -68.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.173 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -78.44 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.829 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.85 80.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.87 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.656 ' HB2' HD23 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -119.86 -14.77 8.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.912 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.66 -17.3 27.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.85 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -120.72 -33.46 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.842 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -17.27 29.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.6 ' OD1' HD11 ' B' ' 14' ' ' LEU . 1.4 t30 -120.17 -49.12 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.84 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.03 12.48 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.932 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.73 -20.03 11.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 64.11 112.432 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -30.09 22.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.849 0.357 . . . . 71.42 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -51.77 -33.42 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.158 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.544 ' O ' HD12 ' B' ' 27' ' ' LEU . 4.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.14 110.972 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 74.43 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.04 84.32 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.137 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.31 -19.58 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.49 -14.98 70.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.1 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HZ3' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -122.6 -8.15 8.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 74.03 110.921 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -17.43 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.901 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -29.01 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 72.31 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' HD13 ' A' ' 11' ' ' LEU . 20.9 mmtp -81.71 65.5 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.98 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.481 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -73.22 -61.6 1.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 62.1 110.911 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.8 -10.87 29.58 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.629 2.219 . . . . 74.12 112.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD13 ' HD2' ' A' ' 8' ' ' LYS . 2.3 mt -98.37 -73.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -68.56 -11.81 60.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.885 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 73.13 112.551 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.15 -48.98 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 72.43 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.36 60.29 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 44.21 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 73.43 112.491 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.858 0.361 . . . . 74.22 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.95 -12.4 60.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.03 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.31 -14.63 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.102 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -0.02 21.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.143 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.17 -31.77 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.31 111.102 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.702 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.05 -39.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.42 111.166 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -16.76 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 75.34 110.827 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -16.26 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.824 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.702 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.4 pp -60.49 -18.38 51.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.96 74.41 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -31.14 32.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 62.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -66.44 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.944 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' B' ' 16' ' ' HIS . 23.2 tp -51.23 120.46 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -50.21 -33.28 18.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.698 ' CE1' HD11 ' B' ' 14' ' ' LEU . 5.5 m170 -60.4 99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.856 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -110.29 2.58 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.3 110.858 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.507 HD12 ' HZ3' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -53.66 -24.36 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 64.02 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -73.24 -75.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptt-85 -57.58 -20.95 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 72.04 110.851 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -47.16 -64.99 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.793 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -120.52 -29.5 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -82.25 1.55 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.07 -16.98 60.06 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.731 . . . . 71.14 112.548 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.38 -25.79 50.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.989 0.423 . . . . 74.25 110.906 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.574 HG23 HD12 ' B' ' 27' ' ' LEU . 7.0 t -51.74 -33.13 33.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 75.11 111.131 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.574 HD12 HG23 ' B' ' 26' ' ' THR . 3.6 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.899 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.842 0.353 . . . . 61.53 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 86.12 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 72.32 111.059 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -118.38 -20.62 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.851 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -18.16 65.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.719 -0.753 . . . . 31.13 112.462 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -121.3 -8.46 9.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.806 0.336 . . . . 64.01 110.919 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.8 -19.04 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.894 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -39.01 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 64.23 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.29 76.34 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.885 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.13 -62.25 0.61 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.527 0.68 . . . . 74.14 110.9 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.3 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 73.32 112.387 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.7 -67.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.932 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -17.92 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.915 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.18 -108.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 70.22 112.512 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -94.72 -7.73 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 72.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.08 -27.99 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.454 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 45.51 112.512 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.867 0.365 . . . . 73.15 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -117.5 12.55 14.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.93 -34.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.44 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -2.89 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.62 -22.68 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.579 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.51 -39.51 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.108 179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -16.69 52.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.18 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.893 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.579 HD22 ' O ' ' B' ' 7' ' ' ILE . 0.9 OUTLIER -69.59 -9.79 55.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.883 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.434 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.4 OUTLIER -73.21 74.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 71.14 110.887 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -50.82 -34.22 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.811 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -37.16 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 72.12 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.73 120.51 39.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.85 103.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.14 111.226 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -120.76 31.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.818 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -81.19 52.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 64.03 110.862 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -118.33 -16.93 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.885 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.59 ' N ' HD12 ' B' ' 18' ' ' LEU . 36.4 t80 -91.72 -60.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 63.2 110.898 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -72.13 -12.99 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -65.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.801 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.75 -24.9 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 64.44 110.824 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -89.44 5.95 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.76 -12.6 74.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 62.12 112.431 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.08 -26.12 48.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 72.14 110.898 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -54.8 -33.35 61.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 74.23 111.213 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.895 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.445 HG23 ' HG2' ' A' ' 3' ' ' ARG . 13.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 75.03 111.119 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.32 84.2 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 63.32 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' HG23 ' A' ' 1' ' ' VAL . 6.2 ptm180 -118.75 -18.87 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 60.41 110.927 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -17.08 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 25.31 112.455 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.77 -8.26 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 71.34 110.879 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -105.51 -23.49 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.936 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -44.94 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.848 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.43 62.59 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 54.02 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -78.6 -62.69 0.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.13 110.891 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.2 Cg_endo -69.74 -7.26 20.61 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 73.42 112.417 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.49 -76.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.32 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -21.9 63.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.827 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.68 -92.85 1.76 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.498 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -46.82 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 70.13 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.31 58.56 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 73.2 112.605 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.671 -0.776 . . . . 61.21 112.43 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 72.24 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' B' ' 7' ' ' ILE . 3.8 tt0 -69.55 -37.8 77.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.41 110.844 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.1 7.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.102 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.39 6.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.79 -33.85 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.129 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.689 ' O ' HD23 ' B' ' 10' ' ' LEU . 5.2 mp -96.62 -34.46 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.083 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.0 -17.08 56.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.936 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.554 ' O ' HG22 ' B' ' 15' ' ' THR . 30.3 t30 -59.64 -16.68 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.786 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.0 OUTLIER -61.8 -15.35 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 55.01 110.878 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.25 83.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -44.96 -36.53 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -68.23 -44.76 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.847 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.47 54.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 70.22 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 9' ' ' ASN . 0.6 OUTLIER -79.55 120.73 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.14 111.135 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -78.67 103.92 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.96 -16.49 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.943 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.79 10.29 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -120.63 -14.47 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 54.44 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -119.13 -12.64 9.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.843 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -62.02 -53.38 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 60.44 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.75 -36.47 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -77.27 -5.18 48.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.873 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.48 -11.5 51.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.506 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.6 -32.1 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 72.44 110.922 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER -63.95 120.06 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.144 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.88 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.776 0.322 . . . . 73.51 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 45.12 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.48 -19.72 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 63.12 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -16.33 68.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.464 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 -7.53 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 72.41 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -19.29 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.915 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.98 -34.38 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 73.12 110.877 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HG3' HD13 ' A' ' 11' ' ' LEU . 2.3 mptp? -89.76 74.78 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.806 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -74.58 -61.91 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.33 110.914 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.7 Cg_endo -69.81 -15.53 36.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.625 2.217 . . . . 71.03 112.374 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' HG2' ' A' ' 10' ' ' PRO . 5.6 mp -89.8 -48.39 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.927 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -80.33 -11.18 59.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.61 -73.5 1.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 40.13 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -27.72 16.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 63.14 110.952 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.63 0.76 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.686 -0.768 . . . . 74.21 112.518 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.488 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.873 0.368 . . . . 75.14 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -2.75 36.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.888 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.436 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -116.71 -20.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.112 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -14.54 18.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 74.3 111.081 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -33.35 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.147 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.556 ' O ' HD23 ' B' ' 10' ' ' LEU . 1.8 pt -60.19 -28.53 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.13 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -6.96 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -11.17 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.42 110.934 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.556 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.6 pp -76.8 -4.09 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.24 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 74.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -49.6 -35.62 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.919 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -39.89 95.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.859 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 120.82 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -47.9 129.04 14.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.208 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.27 23.29 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 54.41 110.781 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -55.62 -23.54 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.3 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.82 25.11 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 60.14 110.949 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -120.73 -51.9 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 73.34 110.815 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -119.59 -28.15 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.846 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -76.05 -20.01 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.881 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -120.47 -46.99 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 63.45 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -96.38 9.7 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.854 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.8 -21.5 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 64.23 112.545 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.65 -24.42 63.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 73.45 110.858 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 65.23 111.149 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 45.05 110.92 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.856 0.36 . . . . 71.4 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.39 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 54.02 111.108 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -12.85 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.836 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.86 -13.05 83.83 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 53.05 112.472 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -4.92 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 72.21 110.886 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -106.77 -27.68 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -120.66 -48.11 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HG3' HD13 ' A' ' 11' ' ' LEU . 12.5 mptt -87.67 68.43 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 34.33 110.908 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.7 -62.46 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 54.04 110.846 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.74 -23.25 31.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.746 2.297 . . . . 62.43 112.279 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.03 -64.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 51.2 110.905 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -18.36 58.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.933 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.95 -88.55 2.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 73.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -51.05 -46.84 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.11 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.95 58.41 4.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.815 -0.707 . . . . 24.35 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.783 -0.722 . . . . 64.12 112.484 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.872 0.367 . . . . 73.43 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.34 0.19 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 72.45 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' B' ' 4' ' ' ILE . 4.2 mp -120.85 -8.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.173 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 1.89 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 75.5 111.144 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.406 ' HA ' ' HB2' ' B' ' 9' ' ' ASN . 1.0 OUTLIER -122.45 -27.81 4.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.21 111.124 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -22.46 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.54 1.88 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.88 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -94.91 -58.06 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.895 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -120.57 -0.98 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.949 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.37 75.96 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.876 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -121.21 -76.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 53.21 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 21.84 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' B' ' 16' ' ' HIS . 8.4 mp -113.06 120.93 43.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.938 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -7.76 55.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.134 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.662 ' CD2' HD23 ' B' ' 14' ' ' LEU . 4.9 m-70 -39.57 115.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.881 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -76.86 -1.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.55 110.935 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 10' ' ' LEU . 3.4 pp -49.68 -25.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.937 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.596 ' N ' HD12 ' B' ' 18' ' ' LEU . 4.7 t80 -48.8 -61.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.827 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -103.05 -32.64 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 71.13 110.826 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -18.4 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.5 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -70.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.866 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.447 ' O ' HG22 ' B' ' 26' ' ' THR . 11.2 m-85 -68.68 -9.96 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.46 -35.49 5.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 74.32 112.489 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -21.91 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 70.5 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.447 HG22 ' O ' ' B' ' 23' ' ' PHE . 7.0 t -71.18 -33.13 69.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.32 111.144 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 71.23 110.977 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.466 HG12 ' HG2' ' A' ' 3' ' ' ARG . 24.5 t . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.845 0.355 . . . . 73.41 111.127 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 83.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -119.33 -18.0 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.914 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -16.78 71.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 73.51 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -8.65 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 75.45 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.33 -23.51 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.954 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -37.21 3.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.835 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.14 65.7 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.879 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -77.85 -59.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 73.5 110.972 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.5 Cg_endo -69.81 -8.09 22.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 60.22 112.33 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.526 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -102.06 -71.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.898 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -19.08 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.939 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.54 -83.49 1.52 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 61.25 112.511 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.16 -53.1 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 65.32 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.53 93.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 31.33 112.51 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 64.45 112.423 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.841 0.353 . . . . 74.42 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -0.59 37.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 70.43 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' B' ' 19' ' ' PHE . 3.9 mp -120.2 -10.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.24 1.69 14.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 60.35 111.132 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.69 -33.28 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.145 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.492 ' O ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -119.41 -29.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 72.4 111.17 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . 0.497 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -105.52 -3.61 22.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -24.43 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.828 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.497 HD23 ' O ' ' B' ' 8' ' ' HIS . 1.9 pt? -55.01 -29.1 56.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.898 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.694 ' CE2' HD13 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -120.62 26.72 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.892 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -58.9 -23.57 61.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 52.54 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -83.82 4.8 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.936 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.694 HD13 ' CE2' ' B' ' 11' ' ' PHE . 10.9 tp -80.05 -75.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 75.53 110.966 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.86 -85.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.35 111.133 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.17 103.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 62.23 110.818 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -24.63 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -13.15 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.953 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -80.44 -23.32 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.917 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 -34.39 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 70.4 110.852 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.2 -21.05 43.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.819 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -120.32 -52.65 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.922 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.62 11.67 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.48 -17.39 8.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 54.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.01 -30.64 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.954 0.407 . . . . 64.01 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.36 107.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 73.04 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.407 ' O ' HG11 ' A' ' 1' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.639 HG13 ' HG2' ' A' ' 3' ' ' ARG . 13.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.908 0.385 . . . . 62.54 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.606 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . . . -75.77 102.86 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 73.3 111.105 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.639 ' HG2' HG13 ' A' ' 1' ' ' VAL . 3.9 mtt180 -118.52 -17.88 9.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.835 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.76 -16.69 72.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.767 -0.73 . . . . 60.25 112.46 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -122.18 -8.36 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.03 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.606 ' NZ ' ' HB3' ' A' ' 2' ' ' ALA . 2.0 mptm? -99.69 -21.15 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 62.45 110.904 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.01 -28.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.856 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.775 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.4 mptm? -73.5 76.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 64.4 110.948 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -75.17 -61.14 1.04 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 71.44 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.75 -7.8 21.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.258 . . . . 72.44 112.283 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.775 HD12 ' HG3' ' A' ' 8' ' ' LYS . 17.0 mt -100.12 -70.0 0.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 75.55 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -69.49 -11.61 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.872 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.93 -120.15 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 70.32 112.506 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -1.38 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.04 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.34 83.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.478 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.822 -0.704 . . . . 44.42 112.493 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 75.42 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.5 2.88 10.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.956 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -29.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.121 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -4.79 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.25 111.099 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.01 -22.19 5.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 64.51 111.134 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -52.11 -39.82 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 65.33 111.166 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -84.22 -15.89 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 61.41 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -89.19 -12.91 39.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 55.11 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.2 pp -82.3 0.16 42.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.45 110.953 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.95 73.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 65.25 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -54.7 -27.15 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.86 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -26.47 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.888 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp -49.01 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 44.04 110.961 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -117.69 -98.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.117 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -124.95 -91.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.888 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -125.64 100.91 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.32 9.1 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.953 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -121.34 -34.65 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.966 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -43.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 64.33 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -7.07 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 54.14 110.867 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -120.17 -63.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.12 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -93.63 13.34 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.5 -11.76 11.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 70.13 112.493 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.39 -20.05 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 74.44 110.964 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -51.24 -33.25 27.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.171 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.925 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 53.03 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.21 66.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.11 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -120.72 -11.94 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 54.04 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.52 -11.69 84.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 62.21 112.474 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.63 -18.45 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 70.44 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -29.47 52.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -116.84 -25.14 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 44.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -72.8 -59.55 2.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.53 0.681 . . . . 72.13 110.847 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.72 -15.0 37.03 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.651 2.234 . . . . 74.45 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.64 -76.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 51.11 110.871 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -24.45 50.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' CA ' HG21 ' B' ' 26' ' ' THR . . . -72.63 -84.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 63.41 112.532 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -102.06 -19.58 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 74.41 110.861 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.92 60.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 73.13 112.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 64.21 112.458 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 72.32 110.941 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.15 4.64 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 65.4 110.827 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.24 -40.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 53.54 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 -2.99 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 75.4 111.134 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.35 -20.06 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.11 111.222 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.585 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.07 -38.81 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 75.25 111.09 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.27 -17.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.802 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.605 ' HB2' HD21 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -70.43 -10.37 58.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.949 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.604 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.2 pp -75.05 -5.64 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.967 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -73.05 72.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.828 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 -32.65 40.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.864 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -33.6 74.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 61.45 110.923 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.57 HD12 ' HD2' ' B' ' 11' ' ' PHE . 13.0 mt -101.85 -77.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.943 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.667 ' CB ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.74 119.42 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.146 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -119.29 -15.7 9.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.07 48.35 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.92 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.667 HD13 ' CB ' ' B' ' 15' ' ' THR . 1.2 pt? -124.13 8.13 8.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -121.86 -58.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.35 10.75 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -86.36 -50.9 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -121.23 -33.62 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.896 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.431 ' O ' HG22 ' B' ' 26' ' ' THR . 16.8 m-85 -87.81 -2.58 58.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.56 -32.81 23.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -20.09 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 74.03 110.862 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 23' ' ' PHE . 6.8 t -53.42 -33.28 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.091 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.31 110.903 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 71.44 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.54 89.09 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 44.04 111.123 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -117.41 -21.28 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.13 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -17.12 63.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 43.13 112.5 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -122.26 -7.42 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.12 110.915 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -18.97 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -31.21 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.909 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.737 ' HG3' HD13 ' A' ' 11' ' ' LEU . 9.8 mptt -70.97 81.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.81 -62.37 0.63 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.68 0.753 . . . . 62.34 110.891 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.7 Cg_endo -69.72 -23.49 30.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.272 . . . . 74.24 112.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -76.5 -75.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.9 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.35 -17.32 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.1 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.75 -79.02 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 52.31 112.496 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -39.71 86.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 72.41 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -23.92 75.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 74.2 112.501 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 75.2 112.548 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.85 0.357 . . . . 73.42 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.84 -2.33 15.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 71.05 110.862 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.439 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -118.69 -21.52 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 71.0 111.155 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -105.85 -7.61 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 70.41 111.191 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -25.4 8.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.542 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.5 -38.22 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.17 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -14.52 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.832 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.07 -13.54 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.54 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.542 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.8 pp -74.27 -4.11 34.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.912 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.6 ' HD2' HD13 ' B' ' 14' ' ' LEU . 1.1 m-30 -69.37 83.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 50.54 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -45.89 -35.33 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' B' ' 14' ' ' LEU . 1.7 tttt -65.97 -43.09 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.803 HD22 HD23 ' B' ' 18' ' ' LEU . 7.8 mp -100.41 110.39 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.586 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -52.27 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.145 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.586 ' H ' HG23 ' B' ' 15' ' ' THR . 0.1 OUTLIER -126.98 6.62 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.799 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -33.12 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.803 HD23 HD22 ' B' ' 14' ' ' LEU . 0.4 OUTLIER -97.41 19.62 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.901 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -120.75 -34.81 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.843 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -116.49 -43.07 2.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.803 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -3.26 43.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.858 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -118.99 -65.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -82.94 2.21 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 62.3 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.58 -19.13 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 75.41 112.537 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.41 -26.18 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.907 0.384 . . . . 62.1 110.928 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 p -54.96 -41.3 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 54.25 110.96 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.805 0.336 . . . . 70.41 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.69 62.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.176 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -8.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 75.1 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.693 ' HA2' HG21 ' B' ' 5' ' ' THR . . . -90.92 -5.69 67.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 63.44 112.487 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.49 -2.04 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 73.14 110.935 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.03 -10.34 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.85 -26.61 15.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.844 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -80.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.853 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -124.78 134.91 26.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.57 0.7 . . . . 73.44 110.922 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 32.57 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.718 2.279 . . . . 63.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' CYS . 27.1 mt -122.86 -35.3 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.21 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.0 -14.93 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.72 -89.57 1.28 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.829 -0.701 . . . . 72.34 112.486 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -59.25 -21.05 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 73.23 110.912 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.01 -28.13 24.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 41.41 112.501 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' B' ' 26' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.475 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.785 0.326 . . . . 72.45 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -116.78 4.2 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 63.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.96 -33.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.113 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 ' HA2' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -95.8 -1.85 48.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 55.54 111.11 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.12 -29.28 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -41.48 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.21 111.13 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.77 -2.5 27.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.809 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.88 6.49 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 73.43 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -88.46 -33.95 17.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.2 110.93 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -53.08 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.924 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -53.01 -37.55 61.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 54.44 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -121.47 55.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.06 -33.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.23 110.946 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.43 121.74 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.182 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -89.38 35.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 73.35 110.852 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -120.19 -30.45 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.85 22.92 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -115.95 -37.8 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.92 -32.66 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.856 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -11.45 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.855 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -120.28 -61.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.928 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.29 5.38 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.32 -24.47 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.36 -27.11 34.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.046 0.45 . . . . 72.32 110.954 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 16' ' ' GLY . 26.3 p -52.28 -41.02 62.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 62.05 111.235 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.892 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 72.34 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.03 101.59 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.15 111.11 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.38 -9.46 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.52 110.867 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.91 -4.23 69.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -121.33 -8.83 9.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 74.31 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 -14.57 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.887 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -36.52 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.723 ' CD ' HD13 ' A' ' 11' ' ' LEU . 37.2 mmtt -70.78 80.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.887 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -78.27 -62.33 0.51 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 60.33 110.913 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 -26.0 28.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 52.1 112.36 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD13 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -75.8 -75.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.875 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -61.0 -19.38 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 62.52 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.85 -81.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 64.15 112.445 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -11.53 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 72.02 110.922 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.93 -28.66 25.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 74.45 112.527 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 73.55 112.515 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 73.31 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.2 -28.9 6.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.97 -36.82 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mp -70.0 -21.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 71.32 111.1 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 55.13 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 -32.34 22.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.15 111.1 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -78.25 -31.77 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.52 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' B' ' 14' ' ' LEU . 15.4 m170 -78.19 -21.5 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.849 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.52 -24.48 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.909 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.1 pp -88.43 -1.93 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.89 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.17 81.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -29.02 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -72.22 -35.13 68.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 70.22 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' B' ' 8' ' ' HIS . 6.0 tt -79.43 120.1 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 109.73 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.159 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -120.04 107.13 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.05 110.922 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 -9.35 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.86 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.72 -6.24 49.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.93 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -83.51 -25.86 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.889 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -27.8 6.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.861 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -89.32 -22.69 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -48.45 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.915 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -93.91 5.31 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.91 -37.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 71.52 112.444 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -20.41 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 72.04 110.905 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -50.85 -32.24 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 71.14 111.133 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -31.04 19.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.45 110.946 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.898 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 53.03 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.0 76.92 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -119.87 -19.88 7.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -18.32 63.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 63.35 112.515 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.64 2.13 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.354 . . . . 72.21 110.918 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -118.34 -10.93 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 73.01 110.958 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.34 -28.48 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.817 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -86.6 -82.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.883 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LEU . 72.3 m -125.56 134.32 25.71 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.66 0.743 . . . . 63.41 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 32.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 55.25 112.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.3 pp -122.95 -35.0 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.948 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.18 -13.84 60.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.04 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.81 -54.58 2.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -85.16 -36.04 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 75.31 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.96 -73.55 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 74.13 112.529 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 65.53 112.527 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 73.04 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -96.94 50.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.884 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -120.68 -9.39 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 71.35 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.19 -33.22 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.091 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.34 -5.68 39.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 54.42 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.4 -18.8 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 72.25 111.155 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.641 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.47 -38.75 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.172 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -16.36 59.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 63.31 110.891 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -9.74 58.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.88 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.641 HD23 ' O ' ' B' ' 7' ' ' ILE . 0.6 OUTLIER -79.54 -2.39 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.855 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.04 74.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -51.54 -35.25 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.801 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -60.91 -34.54 74.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -93.09 -75.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.916 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.705 ' HB ' HD22 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.26 112.93 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 72.33 111.168 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -67.26 -76.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.83 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.42 93.03 4.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.847 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.705 HD22 ' HB ' ' B' ' 15' ' ' THR . 2.1 pt? -121.18 -16.17 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 64.41 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -92.92 -28.14 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -27.13 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.924 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -18.69 22.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.904 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -120.44 -48.63 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.824 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -101.36 12.45 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.827 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.49 -15.67 52.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 54.21 112.465 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -25.66 58.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 64.32 110.925 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -52.69 -33.66 48.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.41 111.155 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -32.31 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.983 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 75.45 110.836 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.929 0.395 . . . . 74.14 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.02 87.02 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 61.11 111.122 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -119.45 -20.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 63.12 110.82 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.09 -19.48 61.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.507 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -121.8 -8.02 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 73.14 110.924 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -98.95 -19.68 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 61.35 110.88 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -36.77 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.61 74.81 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 64.05 110.925 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -75.58 -62.28 0.81 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 74.44 110.937 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.3 Cg_endo -69.8 -8.22 23.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.67 2.246 . . . . 73.2 112.348 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 8' ' ' LYS . 5.5 mp -98.36 -69.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.942 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.12 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.867 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.47 -109.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 60.42 112.525 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -17.67 56.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.41 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.29 -25.01 60.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 64.4 112.503 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 31.04 112.511 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.793 0.33 . . . . 71.15 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -104.96 81.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 63.21 110.907 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.94 -2.14 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 72.41 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.67 -31.98 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 111.113 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -96.92 2.44 51.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 21.41 111.138 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.84 -31.17 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 63.33 111.163 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 pt -56.1 -34.68 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 72.53 111.195 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -11.5 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.833 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -18.94 36.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.89 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.5 -16.32 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.968 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.62 72.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.892 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -35.2 80.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -33.44 70.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.24 110.881 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 tp -75.8 -69.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.862 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.693 ' OG1' HD23 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -117.5 120.03 36.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 73.01 111.198 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -51.7 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 62.42 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -96.35 99.42 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.53 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.693 HD23 ' OG1' ' B' ' 15' ' ' THR . 0.3 OUTLIER -120.66 -11.35 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.859 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -101.29 -22.02 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.97 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -110.19 -47.24 3.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.907 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -78.77 -11.23 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 75.34 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -120.37 -58.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -92.87 10.66 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.55 110.873 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.31 -26.37 2.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 63.32 112.493 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.16 -27.32 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.375 . . . . 73.4 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -52.48 -33.54 45.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.123 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.82 -29.01 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 61.3 110.887 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 63.14 110.887 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.372 . . . . 65.42 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' B' ' 26' ' ' THR . . . -76.27 93.94 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 44.52 111.125 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -118.84 -20.55 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.857 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.09 61.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 40.24 112.504 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -6.25 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 110.863 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 2' ' ' ALA . 1.3 mptp? -103.76 -18.31 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 64.4 110.926 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -32.65 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.853 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -71.7 82.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.45 110.924 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -74.25 -60.91 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 74.45 110.88 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.6 Cg_endo -69.72 -16.87 37.94 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.687 2.258 . . . . 51.33 112.324 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HG3' ' A' ' 8' ' ' LYS . 7.5 mt -87.57 -69.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 35.41 110.913 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -68.92 -15.48 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 75.51 110.923 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.66 -114.3 2.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 35.43 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -30.2 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 54.23 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.56 -27.63 27.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 60.13 112.462 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 73.34 112.481 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.83 0.348 . . . . 65.13 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -106.76 65.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.948 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -120.89 -31.57 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.842 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.93 -33.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.1 t -90.95 -0.47 57.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 43.02 111.143 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.05 -25.72 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.11 111.149 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.611 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -53.87 -41.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 53.2 111.134 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.35 -13.56 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.01 110.862 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.662 ' ND2' HD12 ' B' ' 18' ' ' LEU . 20.9 m120 -90.42 -17.08 27.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.611 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.1 pp -75.14 -5.87 46.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.591 ' HD2' HD12 ' B' ' 14' ' ' LEU . 1.1 m-85 -73.77 71.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -26.63 38.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.846 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -67.23 -29.0 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.92 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' B' ' 11' ' ' PHE . 11.5 mt -102.16 -78.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.888 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.735 ' CG2' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.63 120.33 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.185 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -121.05 14.14 11.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -100.32 -32.39 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' B' ' 15' ' ' THR . 0.2 OUTLIER -93.31 26.94 2.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 51.24 110.875 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -121.17 -43.61 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -113.89 -31.42 6.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.91 -12.88 54.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.806 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -120.96 -59.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.928 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -92.73 12.16 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.41 -8.34 35.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 51.03 112.473 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -22.86 53.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.879 0.371 . . . . 60.14 110.842 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -51.21 119.4 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.41 111.164 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.49 81.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.961 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 62.4 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 91.79 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 62.22 111.089 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.05 -20.09 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.834 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.51 -16.91 65.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.503 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -5.68 9.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 74.34 110.964 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -105.32 -14.46 15.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.922 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.74 -36.24 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mmtp -76.38 72.19 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.932 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.43 -61.85 1.33 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 71.43 110.881 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.81 -12.64 33.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 62.35 112.381 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 8' ' ' LYS . 3.0 mt -96.9 -69.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.888 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.36 -12.92 61.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 70.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.26 -79.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 61.32 112.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -18.51 48.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 73.14 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.38 80.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.785 -0.722 . . . . 75.12 112.463 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 60.02 112.481 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 71.11 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -94.76 23.64 5.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.878 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -120.17 -9.96 9.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.13 -26.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -4.73 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.54 111.201 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.475 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -120.58 -28.45 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 70.23 111.119 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -39.15 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.3 1.2 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.943 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.616 ' O ' HD22 ' B' ' 14' ' ' LEU . 2.9 t-20 -110.08 11.46 23.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.884 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.475 HD22 ' O ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -120.83 4.79 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.835 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.27 -24.3 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.796 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -55.84 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 72.04 110.926 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.525 ' C ' HD12 ' B' ' 14' ' ' LEU . 5.2 pttp -122.47 28.99 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' B' ' 18' ' ' LEU . 8.5 mp -120.46 121.88 39.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.4 -68.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.173 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -78.44 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.829 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.85 80.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.87 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.656 ' HB2' HD23 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -119.86 -14.77 8.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.912 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.66 -17.3 27.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.85 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -120.72 -33.46 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 65.51 110.842 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -17.27 29.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.89 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.6 ' OD1' HD11 ' B' ' 14' ' ' LEU . 1.4 t30 -120.17 -49.12 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.84 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -100.03 12.48 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.932 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.73 -20.03 11.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 64.11 112.432 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -30.09 22.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.849 0.357 . . . . 71.42 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -51.77 -33.42 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.158 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.544 ' O ' HD12 ' B' ' 27' ' ' LEU . 4.9 tp -108.14 -33.46 7.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.14 110.972 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.919 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 74.43 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.04 84.32 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.137 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.31 -19.58 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.49 -14.98 70.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 75.1 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HZ3' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -122.6 -8.15 8.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 74.03 110.921 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -17.43 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.901 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -29.01 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 72.31 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' HD13 ' A' ' 11' ' ' LEU . 20.9 mmtp -81.71 65.5 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.98 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.481 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -73.22 -61.6 1.44 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 62.1 110.911 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.0 Cg_endo -69.8 -10.87 29.58 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.629 2.219 . . . . 74.12 112.334 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD13 ' HD2' ' A' ' 8' ' ' LYS . 2.3 mt -98.37 -73.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -68.56 -11.81 60.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.885 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 73.13 112.551 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.15 -48.98 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 72.43 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.36 60.29 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 44.21 112.479 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 73.43 112.491 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mptt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.822 0.344 . . . . 60.34 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -113.91 23.9 12.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.95 -12.4 60.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.03 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -115.31 -14.63 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.102 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -0.02 21.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.143 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.17 -31.77 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 65.31 111.102 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.702 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.05 -39.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.42 111.166 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -16.76 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 75.34 110.827 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -16.26 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.824 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.702 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.4 pp -60.49 -18.38 51.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.96 74.41 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -31.14 32.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 62.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -66.44 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.944 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' B' ' 16' ' ' HIS . 23.2 tp -51.23 120.46 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -50.21 -33.28 18.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.698 ' CE1' HD11 ' B' ' 14' ' ' LEU . 5.5 m170 -60.4 99.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.856 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -110.29 2.58 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.3 110.858 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.507 HD12 ' HZ3' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -53.66 -24.36 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 64.02 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -73.24 -75.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptt-85 -57.58 -20.95 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 72.04 110.851 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -47.16 -64.99 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.793 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -120.52 -29.5 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.86 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -82.25 1.55 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.07 -16.98 60.06 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.731 . . . . 71.14 112.548 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.38 -25.79 50.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.989 0.423 . . . . 74.25 110.906 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.574 HG23 HD12 ' B' ' 27' ' ' LEU . 7.0 t -51.74 -33.13 33.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 75.11 111.131 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.574 HD12 HG23 ' B' ' 26' ' ' THR . 3.6 mp -75.82 -74.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.899 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.877 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.842 0.353 . . . . 61.53 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 86.12 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 72.32 111.059 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -118.38 -20.62 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.23 110.851 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -18.16 65.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.719 -0.753 . . . . 31.13 112.462 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -121.3 -8.46 9.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.806 0.336 . . . . 64.01 110.919 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.8 -19.04 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.894 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -39.01 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 64.23 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.29 76.34 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.885 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.13 -62.25 0.61 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.527 0.68 . . . . 74.14 110.9 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.3 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 73.32 112.387 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.7 -67.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.932 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -17.92 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.915 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.18 -108.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 70.22 112.512 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -94.72 -7.73 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 72.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.08 -27.99 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.454 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 45.51 112.512 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 71.02 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.24 43.9 1.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 73.15 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -117.5 12.55 14.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.93 -34.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.44 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -2.89 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.62 -22.68 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 72.54 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.579 ' O ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.51 -39.51 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.108 179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -16.69 52.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -13.18 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.893 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.579 HD22 ' O ' ' B' ' 7' ' ' ILE . 0.9 OUTLIER -69.59 -9.79 55.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.883 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.434 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.4 OUTLIER -73.21 74.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 71.14 110.887 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -50.82 -34.22 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.811 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -37.16 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 72.12 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.73 120.51 39.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.956 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.85 103.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.14 111.226 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -120.76 31.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.818 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -81.19 52.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 64.03 110.862 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -118.33 -16.93 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.885 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.59 ' N ' HD12 ' B' ' 18' ' ' LEU . 36.4 t80 -91.72 -60.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 63.2 110.898 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -72.13 -12.99 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -65.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.801 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -121.75 -24.9 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 64.44 110.824 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -89.44 5.95 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.76 -12.6 74.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 62.12 112.431 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.08 -26.12 48.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 72.14 110.898 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -54.8 -33.35 61.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 74.23 111.213 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pp -109.77 -26.98 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.895 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 60.41 110.885 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.445 HG23 ' HG2' ' A' ' 3' ' ' ARG . 13.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.34 . . . . 75.03 111.119 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.32 84.2 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 63.32 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' HG23 ' A' ' 1' ' ' VAL . 6.2 ptm180 -118.75 -18.87 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 60.41 110.927 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -17.08 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 25.31 112.455 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.77 -8.26 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 71.34 110.879 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -105.51 -23.49 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.936 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -44.94 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.848 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.43 62.59 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 54.02 110.84 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -78.6 -62.69 0.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.13 110.891 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.2 Cg_endo -69.74 -7.26 20.61 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 73.42 112.417 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.49 -76.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.32 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -21.9 63.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.827 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.68 -92.85 1.76 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.498 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -46.82 46.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 70.13 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.31 58.56 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 73.2 112.605 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.671 -0.776 . . . . 61.21 112.43 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 72.33 110.964 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -95.31 23.75 5.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.953 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' B' ' 7' ' ' ILE . 3.8 tt0 -69.55 -37.8 77.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 74.41 110.844 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.1 7.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.102 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.39 6.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.79 -33.85 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.129 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.689 ' O ' HD23 ' B' ' 10' ' ' LEU . 5.2 mp -96.62 -34.46 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.083 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.0 -17.08 56.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.936 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.554 ' O ' HG22 ' B' ' 15' ' ' THR . 30.3 t30 -59.64 -16.68 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.786 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.0 OUTLIER -61.8 -15.35 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 55.01 110.878 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.25 83.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -44.96 -36.53 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -68.23 -44.76 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.847 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.47 54.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 70.22 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 9' ' ' ASN . 0.6 OUTLIER -79.55 120.73 24.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.14 111.135 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -78.67 103.92 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.96 -16.49 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.943 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.79 10.29 18.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -120.63 -14.47 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 54.44 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -119.13 -12.64 9.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.843 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -62.02 -53.38 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 60.44 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.75 -36.47 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -77.27 -5.18 48.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.873 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.48 -11.5 51.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.506 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.6 -32.1 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 72.44 110.922 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER -63.95 120.06 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 64.41 111.144 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.97 -32.47 21.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.776 0.322 . . . . 73.51 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.32 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 45.12 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.48 -19.72 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 63.12 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.24 -16.33 68.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.464 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.8 -7.53 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 72.41 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -19.29 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.915 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.98 -34.38 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 73.12 110.877 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HG3' HD13 ' A' ' 11' ' ' LEU . 2.3 mptp? -89.76 74.78 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.806 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -74.58 -61.91 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.33 110.914 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.7 Cg_endo -69.81 -15.53 36.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.625 2.217 . . . . 71.03 112.374 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' HG2' ' A' ' 10' ' ' PRO . 5.6 mp -89.8 -48.39 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.927 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -80.33 -11.18 59.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.61 -73.5 1.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 40.13 112.524 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -27.72 16.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 63.14 110.952 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.63 0.76 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.686 -0.768 . . . . 74.21 112.518 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.488 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.773 0.32 . . . . 74.35 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -84.78 4.07 34.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.296 -0.411 . . . . 75.14 110.893 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -2.75 36.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.888 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.436 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -116.71 -20.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.112 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -14.54 18.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 74.3 111.081 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -33.35 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.147 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.556 ' O ' HD23 ' B' ' 10' ' ' LEU . 1.8 pt -60.19 -28.53 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.13 111.119 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -6.96 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -11.17 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.42 110.934 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.556 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.6 pp -76.8 -4.09 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.24 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 74.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -49.6 -35.62 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.919 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -39.89 95.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.859 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 120.82 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.942 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -47.9 129.04 14.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.208 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.27 23.29 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 54.41 110.781 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -55.62 -23.54 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.3 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.82 25.11 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 60.14 110.949 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -120.73 -51.9 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 73.34 110.815 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -119.59 -28.15 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.846 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -76.05 -20.01 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 64.24 110.881 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -120.47 -46.99 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 63.45 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -96.38 9.7 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.854 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.8 -21.5 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 64.23 112.545 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.65 -24.42 63.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 73.45 110.858 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -80.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 65.23 111.149 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.59 -30.72 8.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 45.05 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.14 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.856 0.36 . . . . 71.4 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.39 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 54.02 111.108 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.51 -12.85 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.836 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.86 -13.05 83.83 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 53.05 112.472 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -4.92 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 72.21 110.886 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -106.77 -27.68 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -120.66 -48.11 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HG3' HD13 ' A' ' 11' ' ' LEU . 12.5 mptt -87.67 68.43 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 34.33 110.908 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -77.7 -62.46 0.54 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 54.04 110.846 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.74 -23.25 31.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.746 2.297 . . . . 62.43 112.279 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.03 -64.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 51.2 110.905 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -18.36 58.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.933 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.95 -88.55 2.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 73.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -51.05 -46.84 61.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 74.11 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.95 58.41 4.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.815 -0.707 . . . . 24.35 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.783 -0.722 . . . . 64.12 112.484 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.765 0.317 . . . . 63.25 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 -0.15 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.927 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -79.34 0.19 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 72.45 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' B' ' 4' ' ' ILE . 4.2 mp -120.85 -8.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.173 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 1.89 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 75.5 111.144 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.406 ' HA ' ' HB2' ' B' ' 9' ' ' ASN . 1.0 OUTLIER -122.45 -27.81 4.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.21 111.124 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -22.46 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 51.13 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.54 1.88 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.88 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -94.91 -58.06 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.895 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -120.57 -0.98 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.949 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.37 75.96 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.876 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -121.21 -76.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 53.21 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 21.84 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' B' ' 16' ' ' HIS . 8.4 mp -113.06 120.93 43.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.938 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -7.76 55.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.134 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.662 ' CD2' HD23 ' B' ' 14' ' ' LEU . 4.9 m-70 -39.57 115.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.881 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -76.86 -1.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.55 110.935 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 10' ' ' LEU . 3.4 pp -49.68 -25.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.937 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.596 ' N ' HD12 ' B' ' 18' ' ' LEU . 4.7 t80 -48.8 -61.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.827 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -103.05 -32.64 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 71.13 110.826 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -18.4 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 75.5 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -70.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.866 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.447 ' O ' HG22 ' B' ' 26' ' ' THR . 11.2 m-85 -68.68 -9.96 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.46 -35.49 5.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 74.32 112.489 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -21.91 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 70.5 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.447 HG22 ' O ' ' B' ' 23' ' ' PHE . 7.0 t -71.18 -33.13 69.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 72.32 111.144 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -30.04 35.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 71.23 110.977 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.807 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.466 HG12 ' HG2' ' A' ' 3' ' ' ARG . 24.5 t . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.845 0.355 . . . . 73.41 111.127 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 83.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -119.33 -18.0 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.914 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.09 -16.78 71.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 73.51 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -8.65 8.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 75.45 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.33 -23.51 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.954 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -37.21 3.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.835 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HG3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -89.14 65.7 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.52 110.879 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -77.85 -59.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 73.5 110.972 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.5 Cg_endo -69.81 -8.09 22.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 60.22 112.33 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.526 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -102.06 -71.07 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.898 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -19.08 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.939 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.54 -83.49 1.52 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 61.25 112.511 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.16 -53.1 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 65.32 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.53 93.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 31.33 112.51 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 64.45 112.423 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.785 0.326 . . . . 74.42 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -98.57 26.51 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -0.59 37.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 70.43 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' B' ' 19' ' ' PHE . 3.9 mp -120.2 -10.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.1 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.24 1.69 14.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 60.35 111.132 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.69 -33.28 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.145 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.492 ' O ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -119.41 -29.89 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 72.4 111.17 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.497 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -105.52 -3.61 22.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -24.43 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.828 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.497 HD23 ' O ' ' B' ' 8' ' ' HIS . 1.9 pt? -55.01 -29.1 56.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.898 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.694 ' CE2' HD13 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -120.62 26.72 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.892 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -58.9 -23.57 61.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 52.54 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -83.82 4.8 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.936 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.694 HD13 ' CE2' ' B' ' 11' ' ' PHE . 10.9 tp -80.05 -75.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 75.53 110.966 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.86 -85.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.35 111.133 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.17 103.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 62.23 110.818 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.92 -24.63 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -13.15 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.953 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -80.44 -23.32 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.917 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 -34.39 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 70.4 110.852 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.2 -21.05 43.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.819 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -120.32 -52.65 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.922 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.62 11.67 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.48 -17.39 8.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 54.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.01 -30.64 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.954 0.407 . . . . 64.01 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.36 107.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 73.04 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.407 ' O ' HG11 ' A' ' 1' ' ' VAL . 1.0 OUTLIER -115.38 -26.09 7.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.904 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.639 HG13 ' HG2' ' A' ' 3' ' ' ARG . 13.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.908 0.385 . . . . 62.54 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.606 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . . . -75.77 102.86 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 73.3 111.105 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.639 ' HG2' HG13 ' A' ' 1' ' ' VAL . 3.9 mtt180 -118.52 -17.88 9.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.835 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.76 -16.69 72.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.767 -0.73 . . . . 60.25 112.46 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -122.18 -8.36 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 74.03 110.895 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.606 ' NZ ' ' HB3' ' A' ' 2' ' ' ALA . 2.0 mptm? -99.69 -21.15 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 62.45 110.904 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.01 -28.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.856 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.775 ' HG3' HD12 ' A' ' 11' ' ' LEU . 1.4 mptm? -73.5 76.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 64.4 110.948 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -75.17 -61.14 1.04 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 71.44 110.877 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.3 Cg_endo -69.75 -7.8 21.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.258 . . . . 72.44 112.283 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.775 HD12 ' HG3' ' A' ' 8' ' ' LYS . 17.0 mt -100.12 -70.0 0.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 75.55 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -69.49 -11.61 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.872 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.93 -120.15 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 70.32 112.506 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -1.38 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.04 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.34 83.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.478 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.822 -0.704 . . . . 44.42 112.493 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 64.52 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.17 64.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.5 2.88 10.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.956 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -29.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 74.24 111.121 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -4.79 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 70.25 111.099 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.01 -22.19 5.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 64.51 111.134 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -52.11 -39.82 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 65.33 111.166 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -84.22 -15.89 45.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 61.41 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -89.19 -12.91 39.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 55.11 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' B' ' 7' ' ' ILE . 1.2 pp -82.3 0.16 42.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 70.45 110.953 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.95 73.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 65.25 110.889 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -54.7 -27.15 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.86 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -26.47 66.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.888 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 tp -49.01 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 44.04 110.961 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -117.69 -98.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.117 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -124.95 -91.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.888 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -125.64 100.91 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.32 9.1 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.953 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -121.34 -34.65 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.966 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -43.98 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 64.33 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -7.07 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 54.14 110.867 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -120.17 -63.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 75.12 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -93.63 13.34 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.5 -11.76 11.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 70.13 112.493 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.39 -20.05 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 74.44 110.964 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 t -51.24 -33.25 27.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.171 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.86 -28.33 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 72.35 110.891 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 53.03 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.21 66.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.11 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -120.72 -11.94 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 54.04 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.52 -11.69 84.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 62.21 112.474 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.63 -18.45 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 70.44 110.956 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -29.47 52.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -116.84 -25.14 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 44.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -72.8 -59.55 2.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.53 0.681 . . . . 72.13 110.847 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.72 -15.0 37.03 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.651 2.234 . . . . 74.45 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.64 -76.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 51.11 110.871 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -24.45 50.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' CA ' HG21 ' B' ' 26' ' ' THR . . . -72.63 -84.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 63.41 112.532 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -102.06 -19.58 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 74.41 110.861 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.92 60.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 73.13 112.476 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 64.21 112.458 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.752 0.31 . . . . 71.22 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.34 51.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.941 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.15 4.64 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 65.4 110.827 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.24 -40.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 53.54 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 -2.99 44.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 75.4 111.134 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.35 -20.06 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 71.11 111.222 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.585 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -63.07 -38.81 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 75.25 111.09 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.27 -17.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.802 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.605 ' HB2' HD21 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -70.43 -10.37 58.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.949 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.604 ' O ' HD12 ' B' ' 10' ' ' LEU . 1.2 pp -75.05 -5.64 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.967 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.57 ' HD2' HD12 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -73.05 72.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.828 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 -32.65 40.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.864 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -33.6 74.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 61.45 110.923 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.57 HD12 ' HD2' ' B' ' 11' ' ' PHE . 13.0 mt -101.85 -77.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.943 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.667 ' CB ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -120.74 119.42 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.146 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -119.29 -15.7 9.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.851 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.07 48.35 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.92 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.667 HD13 ' CB ' ' B' ' 15' ' ' THR . 1.2 pt? -124.13 8.13 8.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.3 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -121.86 -58.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.35 10.75 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -86.36 -50.9 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -121.23 -33.62 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.5 110.896 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.431 ' O ' HG22 ' B' ' 26' ' ' THR . 16.8 m-85 -87.81 -2.58 58.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.56 -32.81 23.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -20.09 64.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 74.03 110.862 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 23' ' ' PHE . 6.8 t -53.42 -33.28 53.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.091 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.79 -31.64 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.31 110.903 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.861 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 71.44 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.54 89.09 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 44.04 111.123 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -117.41 -21.28 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 63.13 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -17.12 63.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 43.13 112.5 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -122.26 -7.42 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 74.12 110.915 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -18.97 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -31.21 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.909 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.737 ' HG3' HD13 ' A' ' 11' ' ' LEU . 9.8 mptt -70.97 81.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.81 -62.37 0.63 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.68 0.753 . . . . 62.34 110.891 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 54.7 Cg_endo -69.72 -23.49 30.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.707 2.272 . . . . 74.24 112.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -76.5 -75.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.9 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.35 -17.32 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.1 110.885 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.75 -79.02 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 52.31 112.496 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -39.71 86.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 72.41 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -23.92 75.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 74.2 112.501 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 75.2 112.548 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 75.03 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -107.98 82.11 1.59 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 73.42 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.84 -2.33 15.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 71.05 110.862 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.439 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -118.69 -21.52 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 71.0 111.155 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -105.85 -7.61 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 70.41 111.191 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -25.4 8.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 71.15 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.542 ' O ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.5 -38.22 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.17 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -14.52 57.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.832 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.07 -13.54 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.54 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.542 HD23 ' O ' ' B' ' 7' ' ' ILE . 1.8 pp -74.27 -4.11 34.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.912 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.6 ' HD2' HD13 ' B' ' 14' ' ' LEU . 1.1 m-30 -69.37 83.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 50.54 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -45.89 -35.33 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' B' ' 14' ' ' LEU . 1.7 tttt -65.97 -43.09 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.803 HD22 HD23 ' B' ' 18' ' ' LEU . 7.8 mp -100.41 110.39 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.586 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -52.27 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.145 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.586 ' H ' HG23 ' B' ' 15' ' ' THR . 0.1 OUTLIER -126.98 6.62 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.799 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -33.12 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.803 HD23 HD22 ' B' ' 14' ' ' LEU . 0.4 OUTLIER -97.41 19.62 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.901 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -120.75 -34.81 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.843 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -116.49 -43.07 2.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.803 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -3.26 43.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.858 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -118.99 -65.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -82.94 2.21 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 62.3 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.58 -19.13 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 75.41 112.537 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.41 -26.18 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.907 0.384 . . . . 62.1 110.928 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 p -54.96 -41.3 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.161 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.17 -26.9 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 54.25 110.96 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.834 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.805 0.336 . . . . 70.41 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.69 62.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.176 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -8.11 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 75.1 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.693 ' HA2' HG21 ' B' ' 5' ' ' THR . . . -90.92 -5.69 67.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 63.44 112.487 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.49 -2.04 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 73.14 110.935 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.03 -10.34 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.904 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.85 -26.61 15.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.844 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -80.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.853 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -124.78 134.91 26.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.57 0.7 . . . . 73.44 110.922 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 32.57 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.718 2.279 . . . . 63.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' CYS . 27.1 mt -122.86 -35.3 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.21 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -77.0 -14.93 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.72 -89.57 1.28 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.829 -0.701 . . . . 72.34 112.486 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -59.25 -21.05 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 73.23 110.912 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.01 -28.13 24.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 41.41 112.501 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' B' ' 26' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.475 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 73.45 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -106.85 63.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.89 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -116.78 4.2 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 63.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.96 -33.11 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.113 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 ' HA2' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -95.8 -1.85 48.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 55.54 111.11 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.12 -29.28 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -41.48 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.21 111.13 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.77 -2.5 27.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.809 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.88 6.49 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 73.43 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -88.46 -33.95 17.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.2 110.93 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -53.08 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.924 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -53.01 -37.55 61.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 54.44 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -121.47 55.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.06 -33.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.23 110.946 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.43 121.74 4.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.182 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -89.38 35.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 73.35 110.852 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -120.19 -30.45 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.85 22.92 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -115.95 -37.8 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.9 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.92 -32.66 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.856 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -11.45 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.855 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -120.28 -61.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.928 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.29 5.38 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.32 -24.47 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.478 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.36 -27.11 34.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.046 0.45 . . . . 72.32 110.954 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 16' ' ' GLY . 26.3 p -52.28 -41.02 62.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 62.05 111.235 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.36 86.52 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.892 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.888 179.933 . . . . . . . . 1 1 . 1 stop_ save_